All Compounds in Database

Record▼▲ Name▼▲ Formula▼▲ Exact Mass▼▲ InChIKey▼▲ Proton NMR▼▲ Carbon NMR▼▲
12981 Neocaesalpin F Neocaesalpin F Neocaesalpin F C28H36O7 484.246 InChIKey=XOEYPDLMHSWXIW-ZUYZVAOBSA-N No Yes
12982 Neocaesalpin G Neocaesalpin G Neocaesalpin G C30H38O7 510.262 InChIKey=LJLXYFXCWJXAPZ-ZPZROSRQSA-N No Yes
12983 6β-Hydroxyisovouacapenol C 6β-Hydroxyisovouacapenol C 6β-Hydroxyisovouacapenol C C20H30O4 334.214 InChIKey=WBGUAFQNFUICPH-RERXNMJGSA-N No Yes
12984 7β-Acetyl-6β-hydroxyisovouacapenol C 7β-Acetyl-6β-hydroxyisovouacapenol C 7β-Acetyl-6β-hydroxyisovouacapenol C C27H34O5 438.241 InChIKey=FWMYDXJJKFZPHW-WVTZLOSNSA-N No Yes
12985 Isovouacapenol C monoacetate Isovouacapenol C monoacetate Isovouacapenol C monoacetate C29H36O6 480.251 InChIKey=OJOSBMVYVXAJPS-RTRKEQCHSA-N No Yes
12986 7-Keto-isovouacapenol C 7-Keto-isovouacapenol C 7-Keto-isovouacapenol C C27H32O5 436.225 InChIKey=KVQBWDDSYPBLLT-GQHSXVDISA-N No Yes
12987 11-O-Methylswartziarboreol C 11-O-Methylswartziarboreol C 11-O-Methylswartziarboreol C C22H28O4 356.199 InChIKey=WKJIVSUNCMEFJU-NYHFZMIOSA-N No Yes
12988 15,16-Dihydroswartziarboreol C 15,16-Dihydroswartziarboreol C 15,16-Dihydroswartziarboreol C C21H28O4 344.199 InChIKey=QAIIXQJPXUSTBS-QKKBWIMNSA-N No Yes
12989 11,12-Di-O-acetylswartziarboreol C 11,12-Di-O-acetylswartziarboreol C 11,12-Di-O-acetylswartziarboreol C C24H28O6 412.189 InChIKey=LVDMMVZILNWGFD-XDHUDOTRSA-N No Yes
12990 Phytocassane E Phytocassane E Phytocassane E C20H28O3 316.204 InChIKey=MMRGGLJWHXYKLZ-ALKYXNQTSA-N No Yes
12991 14-Deoxy-e-caesalpin 14-Deoxy-e-caesalpin 14-Deoxy-e-caesalpin C24H34O6 418.236 InChIKey=JMOFRLILFOJJEZ-ZWZFWQKWSA-N No Yes
12992 Caesaldecan Caesaldecan Caesaldecan C25H38O5 418.272 InChIKey=WPAPOTTYBLXJHT-VYVJRHPGSA-N No Yes
12993 Caesaldecan Caesaldecan Caesaldecan C25H38O5 418.272 InChIKey=WPAPOTTYBLXJHT-VYVJRHPGSA-N No Yes
12994 (4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione (4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione (4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione C20H26O4 330.183 InChIKey=HAYDAXBKYUCVMG-AZUAARDMSA-N No Yes
12996 (4R)-4beta,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione (4R)-4beta,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione (4R)-4beta,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione C20H24O5 344.162 InChIKey=KDHWZJKLOLFJOO-NLWGTHIKSA-N No Yes
12997 (4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione (4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione (4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione C20H24O5 344.162 InChIKey=KDHWZJKLOLFJOO-CMKODMSKSA-N No Yes
12998 (4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione (4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione (4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione C21H26O5 358.178 InChIKey=LNMSJNUZCCJZFM-QKNQBKEWSA-N No Yes
12999 (4S,6aS,10S)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione (4S,6aS,10S)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione (4S,6aS,10S)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione C21H26O5 358.178 InChIKey=LNMSJNUZCCJZFM-IRFCIJBXSA-N No Yes
13000 Isovouacapenol A Isovouacapenol A Isovouacapenol A C27H32O4 420.230 InChIKey=CAKOAOJDETWCQH-BSMIGITPSA-N No Yes
13001 Isovouacapenol B Isovouacapenol B Isovouacapenol B C27H34O5 438.241 InChIKey=AJGZFQDMKBTWTH-GGUBNDNLSA-N No Yes
13002 Isovouacapenol C Isovouacapenol C Isovouacapenol C C27H34O5 438.241 InChIKey=YMUSGWGTHSRGHT-WVTZLOSNSA-N No Yes
13003 Isovouacapenol D Isovouacapenol D Isovouacapenol D C27H30O4 418.214 InChIKey=IEHCQOHUOBIHHN-XSBVVTFOSA-N No Yes
13004 Altotibetin B Altotibetin B Altotibetin B C39H50O13 726.325 InChIKey=VKTJHCMYCFPRCS-BZKUKDCWSA-N No Yes
13005 Altotibetin C Altotibetin C Altotibetin C C37H46O14 714.289 InChIKey=PWEIWEXCWMZIPG-NCSQTBLJSA-N No Yes
13006 Altotibetin D Altotibetin D Altotibetin D C39H50O14 742.320 InChIKey=QAZMTAXCHQTAHA-KLZZQFMOSA-N No Yes
13007 (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one C33H52O10 608.356 InChIKey=VJYZDSWWFJGHOU-BQIGYVBHSA-N No Yes
13008 (1S,2S,3aR,5S,6E,9S,13R,13aR)-13-Acetoxy-1-(benzoyloxy)-9-(cinnamoyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4-one (1S,2S,3aR,5S,6E,9S,13R,13aR)-13-Acetoxy-1-(benzoyloxy)-9-(cinnamoyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4-one (1S,2S,3aR,5S,6E,9S,13R,13aR)-13-Acetoxy-1-(benzoyloxy)-9-(cinnamoyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4-one C38H44O8 628.304 InChIKey=BPSLLHCOGQQAAK-JVCJJWHTSA-N No Yes
13009 (2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol (2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol (2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol C29H38O9 530.252 InChIKey=QUAMTQWBMZDMGY-DPUKMVABSA-N No Yes
13010 Terracinolide B Terracinolide B Terracinolide B C38H52O17 780.320 InChIKey=CJVCPNYZFQYRIV-YNOJAMSLSA-N No Yes
13011 Terracinolide H Terracinolide H Terracinolide H C38H54O16 766.341 InChIKey=BHWIJZNYLYJFNN-LQBCJFKFSA-N No Yes
13012 Terracinolide I Terracinolide I Terracinolide I C38H52O18 796.315 InChIKey=ZSFBABZHSLZEEU-NWBYKHLPSA-N No Yes
13013 13α-Hydroxyterracinolide B 13α-Hydroxyterracinolide B 13α-Hydroxyterracinolide B C38H52O18 796.315 InChIKey=KOPJPWSRYZRWPD-BIORKGAHSA-N No Yes
13014 13α-Hydroxyterracinolide I 13α-Hydroxyterracinolide I 13α-Hydroxyterracinolide I C38H52O19 812.310 InChIKey=MJGFWHXLKFAONU-TXBVHHJHSA-N No Yes
13015 (1R*,2R*,3S*,4R*,5R*,6R*,8S*,12S*,13S*,14R*,15R*)-1,5,8,14-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (1R*,2R*,3S*,4R*,5R*,6R*,8S*,12S*,13S*,14R*,15R*)-1,5,8,14-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (1R*,2R*,3S*,4R*,5R*,6R*,8S*,12S*,13S*,14R*,15R*)-1,5,8,14-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane C35H44O12 656.283 InChIKey=SJGCQOVOMXNEOA-SSCWBVFASA-N No Yes
13016 (2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane C33H42O10 598.278 InChIKey=QMDCSQIUKQLIEO-WJGCSBISSA-N No Yes
13017 (1R*,2R*,3S*,4R*,5R*,6R*,8R*,I2R*,13S*,14R*,15R*)-1,5,14,17-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (1R*,2R*,3S*,4R*,5R*,6R*,8R*,I2R*,13S*,14R*,15R*)-1,5,14,17-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane (1R*,2R*,3S*,4R*,5R*,6R*,8R*,I2R*,13S*,14R*,15R*)-1,5,14,17-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane C35H44O12 656.283 InChIKey=WWWGOMJSMDSXJH-MEDNKGMWSA-N No Yes
13018 [(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate [(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate [(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate C35H40O12 652.252 InChIKey=YAOAPRDDGPBSKP-GTFMBRODSA-N No Yes
13019 (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane C35H44O13 672.278 InChIKey=IVMNWLBWQDWBMA-DRFJQROESA-N No Yes
13020 (2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-Tetraacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-Tetraacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-Tetraacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane C37H46O15 730.284 InChIKey=NHGLHYJFQZMCMD-YDUGZFSZSA-N No Yes
13021 (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-hydroxyacetoxy)-3-benzoylo.~:v-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-hydroxyacetoxy)-3-benzoylo.~:v-15-hydroxy-9-oxo-segetane (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-hydroxyacetoxy)-3-benzoylo.~:v-15-hydroxy-9-oxo-segetane C33H42O11 614.273 InChIKey=WVOOBRKOQQHLPH-SHONSASISA-N No Yes
13022 (2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-Angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epipresegetane (2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-Angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epipresegetane (2S*,3S*,4R*,5R*,6R*,7S*,8R*,12R*,13S*,14R*,15R*)-5-Angeloyloxy-3-benzoyloxy-6,14:8,14-diepoxy-7,13,15,17-tetrahydroxy-9-oxo-15-epipresegetane C32H40O11 600.257 InChIKey=RXOFZUJDPCKLFW-QHSZYOQJSA-N No Yes
13023 C22H30O6 390.204 InChIKey=UYVVZRYSWYDKCS-BSKUVLGKSA-N No Yes
13024 20-O-Acetyl-3-O-angeloyl-17-angeloyloxyingenol 20-O-Acetyl-3-O-angeloyl-17-angeloyloxyingenol 20-O-Acetyl-3-O-angeloyl-17-angeloyloxyingenol C32H42O9 570.283 InChIKey=NNUPVFIXTQOMDD-DXKBCKEJSA-N No Yes
13025 13α-Acetoxy-3-0-angeloyl-17-benzoyloxyingenol 13α-Acetoxy-3-0-angeloyl-17-benzoyloxyingenol 13α-Acetoxy-3-0-angeloyl-17-benzoyloxyingenol C34H40O9 592.267 InChIKey=CZSCLLXJWRBYHJ-DTRHHDGXSA-N No Yes
13026 1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one 1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one 1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one C20H32O3 320.235 InChIKey=WKRNXBWIIHEZTF-CJEFFJQMSA-N No Yes
13027 Dantaxusin C Dantaxusin C Dantaxusin C C37H44O12 680.283 InChIKey=MOYWWZOOLCCTFX-WXJTWOLQSA-N No Yes
13028 Dantaxusin D Dantaxusin D Dantaxusin D C37H46O11 666.304 InChIKey=NZBMJCIKXVEDHJ-LUAYAUSYSA-N No Yes
13029 Agallochin F Agallochin F Agallochin F C20H30O3 318.219 InChIKey=IZKLRFJACWWWBZ-NCLNHVEOSA-N No Yes
13030 Agallochin G Agallochin G Agallochin G C20H30O2 302.225 InChIKey=RRYTXWAMRRHHAA-SHUSYBTNSA-N No Yes
13031 Agallochin H Agallochin H Agallochin H C20H30O3 318.219 InChIKey=GUFDSAGOSLFDBB-HZTYSORVSA-N No Yes