All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
3007 (23E)-3b-Hydroxy-7b-methoxycucurbita-5,23,25-trien-19-al (23E)-3b-Hydroxy-7b-methoxycucurbita-5,23,25-trien-19-al (23E)-3b-Hydroxy-7b-methoxycucurbita-5,23,25-trien-19-al C31H48O3 468.360 InChIKey=WZZAXQGYJDXEDP-UJBPRPQUSA-N No Yes
3008 (23E)-3b-Hydroxy-7b,25-dimethoxycucurbita-5,23-dien-19-al (23E)-3b-Hydroxy-7b,25-dimethoxycucurbita-5,23-dien-19-al (23E)-3b-Hydroxy-7b,25-dimethoxycucurbita-5,23-dien-19-al C32H52O4 500.387 InChIKey=RJZHRGIIKCKCRF-NUDRNVDMSA-N No Yes
3009 2-Deoxycucurbitacin D 2-Deoxycucurbitacin D 2-Deoxycucurbitacin D C30H44O6 500.314 InChIKey=KMFVVUWIGLRRLZ-NTLQYXAJSA-N No Yes
3010 Rivaloside C Rivaloside C Rivaloside C C44H70O16 854.466 InChIKey=WAPDVZLSHHOCJF-IUGSFLQOSA-N No Yes
3011 Rivaloside D Rivaloside D Rivaloside D C42H68O15 812.456 InChIKey=AQZOISAEYXSCFM-NUZIMSINSA-N No Yes
3012 Rivalosides E Rivalosides E Rivalosides E C42H66O15 810.440 InChIKey=RZQHWSDMLZHIRN-WFRMFRONSA-N No Yes
3013 Momordin IIb Momordin IIb Momordin IIb C42H66O14 794.445 InChIKey=YOSRLTNUOCHBEA-SGVKAIFKSA-N No Yes
3014 Rivaloside C aglycon Rivaloside C aglycon Rivaloside C aglycon C30H48O5 488.350 InChIKey=XJMYUPJDAFKICJ-PRGATJKRSA-N No Yes
3015 3b-Methoxy-21a-acetoxyserrat-14-ene 3b-Methoxy-21a-acetoxyserrat-14-ene 3b-Methoxy-21a-acetoxyserrat-14-ene C33H54O3 498.407 InChIKey=SUFSTXHWPMIZLJ-YHQDALFJSA-N No Yes
3016 3b-Methoxy-30-hydroxyserrat-14-en-21-one 3b-Methoxy-30-hydroxyserrat-14-en-21-one 3b-Methoxy-30-hydroxyserrat-14-en-21-one C31H50O3 470.376 InChIKey=BCCNYPRVEOKGIP-JOZDGMMTSA-N No Yes
3017 3b-Methoxy-21-oxoserrat-14-en-30-al 3b-Methoxy-21-oxoserrat-14-en-30-al 3b-Methoxy-21-oxoserrat-14-en-30-al C31H48O3 468.360 InChIKey=ZXOSMGNNWJODHY-JOZDGMMTSA-N No Yes
3018 3b-Methoxy-21a-acetoxyserrat-14-en-30-al 3b-Methoxy-21a-acetoxyserrat-14-en-30-al 3b-Methoxy-21a-acetoxyserrat-14-en-30-al C33H52O4 512.387 InChIKey=UNQSEULMISZTOV-QNUOLQLWSA-N No Yes
3019 3b-Methoxy-21a-acetoxyserrat-14-en-29-al 3b-Methoxy-21a-acetoxyserrat-14-en-29-al 3b-Methoxy-21a-acetoxyserrat-14-en-29-al C30H48O2 440.365 InChIKey=RYDDERUCYQVBPM-IFPRXKJHSA-N No Yes
3020 3-0-b-D-glucopyranosyl-23,24-dihydrocucurbitacin F 3-0-b-D-glucopyranosyl-23,24-dihydrocucurbitacin F 3-0-b-D-glucopyranosyl-23,24-dihydrocucurbitacin F C36H58O12 682.393 InChIKey=MSHWJYPCLRLDEB-GFJBZRDRSA-N No Yes
3021 37a,6b,25-Trihydroxy-20(S),24(S)-epoxydammarane 37a,6b,25-Trihydroxy-20(S),24(S)-epoxydammarane 37a,6b,25-Trihydroxy-20(S),24(S)-epoxydammarane C30H52O4 476.387 InChIKey=XCGOZFFUTSYBMG-GBBXESAWSA-N No Yes
3022 3a-Acetoxy-6b,L25-dihydroxy-20(S),24(S)-epoxy-dammarane 3a-Acetoxy-6b,L25-dihydroxy-20(S),24(S)-epoxy-dammarane 3a-Acetoxy-6b,L25-dihydroxy-20(S),24(S)-epoxy-dammarane C32H54O5 518.397 InChIKey=BWPHAKMLBOJTJQ-CMPKMKQCSA-N No Yes
3023 Cabraleadio Cabraleadio Cabraleadio C30H52O3 460.392 InChIKey=RQBNSDSKUAGBOI-ZNYSIYOKSA-N No Yes
3024 Bacoside A1 Bacoside A1 Bacoside A1 C47H76O18 928.503 InChIKey=CDEVGTJBRPBOPH-MBPGAXKQSA-N No Yes
3025 (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol C30H50O4 474.371 InChIKey=KDJXPNZPMKGUCB-MBJJSQGESA-N No Yes
3026 (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol (24R)-17,24:20,24-Diepoxydammarane-3alpha,25-diol C30H50O4 474.371 InChIKey=KDJXPNZPMKGUCB-MBJJSQGESA-N No Yes
3027 C30H50O4 474.371 InChIKey=VQVGNVXQGAGQRV-OOGFXAEPSA-N No Yes
3028 C30H50O4 474.371 InChIKey=VQVGNVXQGAGQRV-OOGFXAEPSA-N No Yes
3029 Bacoside A Bacoside A Bacoside A C40H64O12 736.440 InChIKey=ZQOWXUBGLKIVHR-LFTQKKCNSA-N No Yes
3030 Papyriferic acid Papyriferic acid Papyriferic acid C35H56O8 604.398 InChIKey=RLVAVWQAAQFUOP-IEKKKTHBSA-N No Yes
3031 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid C35H56O8 604.398 InChIKey=RLVAVWQAAQFUOP-GNYBQDBLSA-N No Yes
3032 3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid 3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid 3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid C35H56O7 588.403 InChIKey=FYODXPUPZMUKOK-DZEMBPLKSA-N No Yes
3033 C31H52O4 488.387 InChIKey=BUJPZGIOSHQMID-DBPAGBJHSA-N No Yes
3034 C32H54O5 518.397 InChIKey=BKZGPSMYBPDCAR-VPFAJUEISA-N No Yes
3035 C46H76O15 868.518 InChIKey=VSMYDDCXBBXCQX-UYFQHSSJSA-N No Yes
3036 C35H60O3 528.454 InChIKey=WZNHAVSCNBJFAG-KPAMULQDSA-N No Yes
3037 C33H56O2 484.428 InChIKey=QUCHZEPEFKIMPS-DQQSPTSGSA-N No Yes
3038 C33H58O2 486.444 InChIKey=CFDTZOGRODAGQC-DNFPSKEESA-N No Yes
3039 beta-Alnincanol beta-Alnincanol beta-Alnincanol C31H54O2 458.412 InChIKey=QBFARSIDDQYXHO-OCHYYCGISA-N No Yes
3040 C33H56O3 500.423 InChIKey=MOHUXYIXSDGMTN-LNBHANAKSA-N No Yes
3041 Alnincanone Alnincanone Alnincanone C31H52O2 456.397 InChIKey=LHPJBVHIHBSBRD-JQYZYYRZSA-N No Yes
3042 C47H76O18 928.503 InChIKey=CDEVGTJBRPBOPH-SLNPZCJFSA-N No Yes
3043 17alpha-Hydroxycabralealactone 17alpha-Hydroxycabralealactone 17alpha-Hydroxycabralealactone C27H42O4 430.308 InChIKey=LTEAFAQTORTAOW-JHKVIMLZSA-N No Yes
3044 Cabralealactone Cabralealactone Cabralealactone C27H42O3 414.313 InChIKey=NOLGXQBEFHYZHI-QPBHWVAKSA-N No Yes
3045 3-O-Acetyl-12beta-acetoxy-17alpha-hydroxycabraleahydroxylactone 3-O-Acetyl-12beta-acetoxy-17alpha-hydroxycabraleahydroxylactone 3-O-Acetyl-12beta-acetoxy-17alpha-hydroxycabraleahydroxylactone C31H48O7 532.340 InChIKey=HZLWOGKTVDZVAN-DZNQXZFQSA-N No Yes
3046 17alpha-Hydroxycabraleahydroxylactone 17alpha-Hydroxycabraleahydroxylactone 17alpha-Hydroxycabraleahydroxylactone C27H44O4 432.324 InChIKey=SAHJNWSRUWGRMS-IWPNGTKTSA-N No Yes
3047 C30H52O4 476.387 InChIKey=UTJGQZHPXQZMFT-CKMOQOQZSA-N No Yes
3048 12beta-Acetoxycleocarpone 12beta-Acetoxycleocarpone 12beta-Acetoxycleocarpone C32H50O6 530.361 InChIKey=ZHCMMSAQQHMOOP-VULMRHIUSA-N No Yes
3049 12beta-Acetoxycleocarpanol 12beta-Acetoxycleocarpanol 12beta-Acetoxycleocarpanol C32H52O6 532.376 InChIKey=SVYLRWXAPACCMH-HPYAPKKGSA-N No Yes
3050 3-O-Acetyl-12beta-hydroxycleocarpanol 3-O-Acetyl-12beta-hydroxycleocarpanol 3-O-Acetyl-12beta-hydroxycleocarpanol C32H52O6 532.376 InChIKey=RXBLJXFGQJJUDL-HPYAPKKGSA-N No Yes
3051 C30H48O4 472.355 InChIKey=IBZXYCCFRDUMQQ-NKXSSFIVSA-N No Yes
3052 3-O-Acetyl-12beta-acetoxy-25-O-ethylcleocarpanol 3-O-Acetyl-12beta-acetoxy-25-O-ethylcleocarpanol 3-O-Acetyl-12beta-acetoxy-25-O-ethylcleocarpanol C36H58O7 602.418 InChIKey=QVKYLQCSMQSINY-SAAGHGFTSA-N No Yes
3053 1,2,22,23-Tetradehydrocabralealactone 1,2,22,23-Tetradehydrocabralealactone 1,2,22,23-Tetradehydrocabralealactone C27H38O3 410.282 InChIKey=UNLHOZSQJSDBQS-QPBHWVAKSA-N No Yes
3054 (9ξ,13ξ,17ξ)-4,4,8,14-Tetramethyl-20,24-epoxy-18-norchol-1-ene-3,24-dione (9ξ,13ξ,17ξ)-4,4,8,14-Tetramethyl-20,24-epoxy-18-norchol-1-ene-3,24-dione (9ξ,13ξ,17ξ)-4,4,8,14-Tetramethyl-20,24-epoxy-18-norchol-1-ene-3,24-dione C27H40O3 412.298 InChIKey=WYBNDXYXXYAQPY-QPBHWVAKSA-N No Yes
3055 (12β,13ξ,17ξ)-4,4,8,14-Tetramethyl-3,24-dioxo-20,24-epoxy-18-norchola-1,22-dien-12-yl acetate (12β,13ξ,17ξ)-4,4,8,14-Tetramethyl-3,24-dioxo-20,24-epoxy-18-norchola-1,22-dien-12-yl acetate (12β,13ξ,17ξ)-4,4,8,14-Tetramethyl-3,24-dioxo-20,24-epoxy-18-norchola-1,22-dien-12-yl acetate C29H40O5 468.288 InChIKey=HHADFXKLJQYGKX-RPCXDPJASA-N No Yes
3056 C29H42O5 470.303 InChIKey=HFEGMQANBPHCKL-RPCXDPJASA-N No Yes