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(E,5R,6S)-5-acetoxy-6-[(8S,9S,10R,13S,14S,17R)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(E,5R,6S)-5-acetoxy-6-[(8S,9S,10R,13S,14S,17R)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid methyl ester
SpectraBase Compound ID BNbwK2kqaZI
InChI InChI=1S/C30H42O5/c1-18(28(33)34-6)7-12-27(35-20(3)31)19(2)24-10-11-25-23-9-8-21-17-22(32)13-15-29(21,4)26(23)14-16-30(24,25)5/h7,13,15,17,19,23-27H,8-12,14,16H2,1-6H3/b18-7+/t19-,23-,24+,25-,26-,27+,29-,30+/m0/s1
InChIKey CJXWFEZBFQONFN-YZOWWEOWSA-N
Mol Weight 482.7 g/mol
Molecular Formula C30H42O5
Exact Mass 482.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aJePnpgFlt
Name (E,5R,6S)-5-acetoxy-6-[(8S,9S,10R,13S,14S,17R)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O5
InChI InChI=1S/C30H42O5/c1-18(28(33)34-6)7-12-27(35-20(3)31)19(2)24-10-11-25-23-9-8-21-17-22(32)13-15-29(21,4)26(23)14-16-30(24,25)5/h7,13,15,17,19,23-27H,8-12,14,16H2,1-6H3/b18-7+/t19-,23-,24+,25-,26-,27+,29-,30+/m0/s1
InChIKey CJXWFEZBFQONFN-YZOWWEOWSA-N
Molecular Weight 482.661 g/mol
SMILES C1(C=C[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@]([C@@](C\C=C\(C(=O)OC)C)(OC(=O)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O
SPLASH splash10-00di-0921200000-f8bb9475c28a62cd6cb3
Source of Spectrum X2-68-1114-3
Synonyms (E,5R,6S)-5-acetyloxy-6-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-2-heptenoic acid methyl ester Methyl (E,5R,6S)-5-acetoxy-6-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoate Methyl (E,5R,6S)-5-acetyloxy-6-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoate Methyl (E,5R,6S)-5-acetyloxy-6-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoate
Wiley ID 1609630