All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
6713 Pyrocincholic acid 3β-O-α-L-rhamnopyranoside Pyrocincholic acid 3β-O-α-L-rhamnopyranoside Pyrocincholic acid 3β-O-α-L-rhamnopyranoside C35H56O7 588.403 InChIKey=OFFCNBAVUQWPCF-QVPKUXRDSA-N No Yes
6714 Rotundic acid Rotundic acid Rotundic acid C30H48O5 488.350 InChIKey=YLHQFGOOMKJFLP-LTFXOGOQSA-N No Yes
6715 C30H48O5 488.350 InChIKey=YLHQFGOOMKJFLP-JFZPFZHUSA-N No Yes
6716 Cincholic acid Cincholic acid Cincholic acid C30H46O5 486.335 InChIKey=NGAUATZUWHZXEK-NLCQKWKWSA-N No Yes
6717 (1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one (1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one (1aS)-2beta,4beta-Dihydroxy-1abeta,2,3,4,7abeta,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-6(7H)-one C15H22O3 250.157 InChIKey=XHCBDRQGSZIZOX-LLSOINDXSA-N No Yes
6718 (1aS)-5alpha,6beta-Dihydroxy-1abeta,2,3,4,5,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-7(6H)-one (1aS)-5alpha,6beta-Dihydroxy-1abeta,2,3,4,5,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-7(6H)-one (1aS)-5alpha,6beta-Dihydroxy-1abeta,2,3,4,5,7b-hexahydro-3,3,5,7bbeta-tetramethyl-1H-cyclopropa[e]azulene-7(6H)-one C15H22O3 250.157 InChIKey=KTKIBPTZPFNWGI-WQLKMTMSSA-N No Yes
6719 (1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one (1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one (1aS)-1abeta,2,3,4,5,7b-Hexahydro-3,3,5,7bbeta-tetramethyl-5alpha,6alpha-dihydroxy-1H-cycloprop[e]azulen-7(6H)-one C15H22O3 250.157 InChIKey=KTKIBPTZPFNWGI-MKSSDUHQSA-N No Yes
6720 (1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one (1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one (1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one C15H20O3 248.141 InChIKey=HSCIYWCSFZTNLU-FLCCKXIQSA-N No Yes
6721 (3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one (3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one (3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one C14H20O2 220.146 InChIKey=JYVVXGYNFYHSER-UINNMSKDSA-N No Yes
6722 Ophiocerins A Ophiocerins A Ophiocerins A C6H12O3 132.079 InChIKey=BIWRLNLHQRIBOB-PBXRRBTRSA-N No Yes
6723 Ophiocerins B Ophiocerins B Ophiocerins B C6H12O3 132.079 InChIKey=BIWRLNLHQRIBOB-HSUXUTPPSA-N No Yes
6724 Ophiocerins C Ophiocerins C Ophiocerins C C6H12O3 132.079 InChIKey=BIWRLNLHQRIBOB-SRQIZXRXSA-N No Yes
6725 Ophiocerins D Ophiocerins D Ophiocerins D C10H16O5 216.100 InChIKey=ZKDAKCXDTRJOGZ-QENWWAFGSA-N No Yes
6726 ophioceric acid ophioceric acid ophioceric acid C15H20O3 248.141 InChIKey=STEFDXGKULBYNU-ISOBSLSZSA-N No Yes
6727 African-1-ene African-1-ene African-1-ene C15H24 204.188 InChIKey=FCQGZOYPTSMOOM-NDPMZMCLSA-N No Yes
6728 Africa-1,5-diene Africa-1,5-diene Africa-1,5-diene C15H22 202.172 InChIKey=RPHSOXQGRPSDCV-JRPNMDOOSA-N No Yes
6730 Asterisca-3(15),6-diene Asterisca-3(15),6-diene Asterisca-3(15),6-diene C15H24 204.188 InChIKey=JRCVPJOABWZGQV-FLFDDASRSA-N No Yes
6731 3b-(2-methylbutanoyloxy)-8bH-eremophil-7(11)-ene-12,8a-(14,6a)-diolide 3b-(2-methylbutanoyloxy)-8bH-eremophil-7(11)-ene-12,8a-(14,6a)-diolide 3b-(2-methylbutanoyloxy)-8bH-eremophil-7(11)-ene-12,8a-(14,6a)-diolide C20H26O6 362.173 InChIKey=IRRGZHQOVQRPSV-COLAGSKMSA-N No Yes
6732 8bH-eremophil-3,7(11)-diene-12,8a(14,6a)-diolide 8bH-eremophil-3,7(11)-diene-12,8a(14,6a)-diolide 8bH-eremophil-3,7(11)-diene-12,8a(14,6a)-diolide C15H16O4 260.105 InChIKey=NCTYRIDOQXKYJJ-KHNKHLGUSA-N No Yes
6733 28-Norurs-12-ene-2alpha,3beta,19alpha-triol 28-Norurs-12-ene-2alpha,3beta,19alpha-triol 28-Norurs-12-ene-2alpha,3beta,19alpha-triol C29H48O3 444.360 InChIKey=JCCNBMSYOQTOON-DOIBIPPYSA-N No Yes
6734 28-Norurs-12-ene-2alpha,3alpha,19alpha-triol 28-Norurs-12-ene-2alpha,3alpha,19alpha-triol 28-Norurs-12-ene-2alpha,3alpha,19alpha-triol C29H48O3 444.360 InChIKey=JCCNBMSYOQTOON-AKQPWPHHSA-N No Yes
6735 Nootkatone Nootkatone Nootkatone C15H22O1 218.167 InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N No Yes
6736 Nootkaton-12-ol Nootkaton-12-ol Nootkaton-12-ol C15H24O2 236.178 InChIKey=AKYDWUWGDODGOE-NABWBXCOSA-N No Yes
6737 4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one 4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one 4,4a,5,6,7,8-Hexahydro-4beta,4abeta-dimethyl-6alpha-[(R)-1-methyl-1,2-dihydroxyethyl]naphthalene-2(3H)-one C15H24O3 252.173 InChIKey=DJPISZPEZJGKKI-DWZYQQQCSA-N No Yes
6738 9b -Hydroxynootkatone 9b -Hydroxynootkatone 9b -Hydroxynootkatone C15H22O2 234.162 InChIKey=AHROGQKIGMNGTG-FIXIBIHLSA-N No Yes
6739 7a-Hydroxynootkatone 7a-Hydroxynootkatone 7a-Hydroxynootkatone C15H22O2 234.162 InChIKey=QBKWNYIOJCLJJI-UGFHNGPFSA-N No Yes
6740 2-[(2R)-8beta,8abeta-Dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol 2-[(2R)-8beta,8abeta-Dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol 2-[(2R)-8beta,8abeta-Dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol C15H24O2 236.178 InChIKey=KNXLEGDEKZAVHD-SQPSOYEMSA-N No Yes
6741 (1S)-1alpha,8aalpha-Dimethyl-7beta-[(R)-1-methyl-1,2-dihydroxyethyl]-1,2,6,7,8,8a-hexahydronaphthalene-2-one (1S)-1alpha,8aalpha-Dimethyl-7beta-[(R)-1-methyl-1,2-dihydroxyethyl]-1,2,6,7,8,8a-hexahydronaphthalene-2-one (1S)-1alpha,8aalpha-Dimethyl-7beta-[(R)-1-methyl-1,2-dihydroxyethyl]-1,2,6,7,8,8a-hexahydronaphthalene-2-one C15H22O3 250.157 InChIKey=NBSVVLFADNHDAW-DWZYQQQCSA-N No Yes
6742 2-[(2R)-7alpha-Hydroxy-8beta,8abeta-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol 2-[(2R)-7alpha-Hydroxy-8beta,8abeta-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol 2-[(2R)-7alpha-Hydroxy-8beta,8abeta-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-2alpha-yl]-1,2-propanediol C15H24O3 252.173 InChIKey=OKOYPMUNFDZXGG-SGXVVEDMSA-N No Yes
6743 (1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one (1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one (1S)-1alpha,4abeta-Dimethyl-7beta-(1-methyl-1,2-dihydroxyethyl)-1,2,4a,5,6,7,8,8aalpha-octahydronaphthalene-2-one C15H24O3 252.173 InChIKey=YKRFZGJYLQEDOH-BHQNCHMUSA-N No Yes
6744 6-acetoxy-3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide 6-acetoxy-3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide 6-acetoxy-3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide C22H28O8 420.178 InChIKey=PWJUIFHLEYIAEJ-UYJUOCPHSA-N No Yes
6745 3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12 -olide C20H26O7 378.168 InChIKey=ANNQAWOBMZQOSM-OYMBHINLSA-N No Yes
6746 3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12 -olide C22H30O7 406.199 InChIKey=POPWVNXWRXFZFY-XUYOLHHUSA-N No Yes
6747 3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide 3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide C20H26O6 362.173 InChIKey=WATSLMNLAKJSBJ-HMPBHZIWSA-N No Yes
6748 Valerianol Valerianol Valerianol C15H26O1 222.198 InChIKey=MQWIFDHBNGIVPO-KYOSRNDESA-N No Yes
6749 (1R,5R,6S)-5,6,9,9-Tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene (1R,5R,6S)-5,6,9,9-Tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene (1R,5R,6S)-5,6,9,9-Tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene C15H24O1 220.183 InChIKey=JHJVISLPRJLTJT-UXOAXIEHSA-N No Yes
6750 (?)-Dehydrojinkoheremol (?)-Dehydrojinkoheremol (?)-Dehydrojinkoheremol C15H24O1 220.183 InChIKey=WINATCPPCIWJCQ-KYOSRNDESA-N No Yes
6751 (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one C15H26O2 238.193 InChIKey=ZGRPWWDOSQIIIF-FJJYHAOUSA-N No Yes
6752 (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta-ol (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta-ol (8aalpha)-6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta-ol C15H28O2 240.209 InChIKey=KAIXFWUGPSUCGA-BIGJJFBESA-N No Yes
6753 6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol 6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol 6alpha-(1-Hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1beta,8aalpha-diol C15H28O3 256.204 InChIKey=OCOXBRHAPZDTPL-RKEKIRQTSA-N No Yes
6754 8aalpha-Hydroxy-6alpha-(1-hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one 8aalpha-Hydroxy-6alpha-(1-hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one 8aalpha-Hydroxy-6alpha-(1-hydroxy-1-methylethyl)-4beta,4abeta-dimethyldecalin-1-one C15H26O3 254.188 InChIKey=DMOVMBBPOKSGBH-HKCMKHECSA-N No Yes
6755 5-epi-Dilatanolide B 5-epi-Dilatanolide B 5-epi-Dilatanolide B C15H20O2 232.146 InChIKey=MCWIBQXSOJFMTL-BYDSVVRCSA-N No Yes
6756 C15H22O2 234.162 InChIKey=DXIBNMIMMBDQQP-IHEQOVHZSA-N No Yes
6758 3β-Methylbutyryloxyeuryopsin 3β-Methylbutyryloxyeuryopsin 3β-Methylbutyryloxyeuryopsin C20H28O3 316.204 InChIKey=BOWOEUYFJGMNRB-GZRFBZBPSA-N No Yes
6759 3β-Angeloyloxyeuryopsin 3β-Angeloyloxyeuryopsin 3β-Angeloyloxyeuryopsin C20H26O3 314.188 InChIKey=LDVYGJZVOMMAOC-GHPFTKJRSA-N No Yes
6760 3β-Senecioyloxyeuryopsin 3β-Senecioyloxyeuryopsin 3β-Senecioyloxyeuryopsin C20H26O3 314.188 InChIKey=MFDMMMJTMZRMFM-GZRFBZBPSA-N No Yes
6761 3b-Hydroxyeuryopsin 3b-Hydroxyeuryopsin 3b-Hydroxyeuryopsin C15H20O2 232.146 InChIKey=PFMFNKHYHQYXOC-VZJVUDMVSA-N No Yes
6762 Euryopsin-3-one Euryopsin-3-one Euryopsin-3-one C15H18O2 230.131 InChIKey=BICUIOBLBYQYLO-ZUZCIYMTSA-N No Yes
6763 Furanoligularenone Furanoligularenone Furanoligularenone C15H18O2 230.131 InChIKey=KLBNCPFQVXNPFQ-ZIBATOQPSA-N No Yes
6764 2,4,4a,8aalpha,9,9a-Hexahydro-3,4abeta,5beta-trimethyl-2alpha,9aalpha-bismethoxynaphtho[2,3-b]furan-6(5H)-one 2,4,4a,8aalpha,9,9a-Hexahydro-3,4abeta,5beta-trimethyl-2alpha,9aalpha-bismethoxynaphtho[2,3-b]furan-6(5H)-one 2,4,4a,8aalpha,9,9a-Hexahydro-3,4abeta,5beta-trimethyl-2alpha,9aalpha-bismethoxynaphtho[2,3-b]furan-6(5H)-one C17H24O4 292.167 InChIKey=NLBGXOVRIUSSEP-PASATYPHSA-N No Yes