(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

SpectraBase Compound ID	4Z250w9JcGm
InChI	InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-23,25,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey	OEUNIWGBYMEXOA-GXZPRZHNSA-N Google Search
Mol Weight	398.6 g/mol
Molecular Formula	C27H42O2
Exact Mass	398.318481 g/mol

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SpectraBase Spectrum ID	1AZFClKeGB1
Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H42O2
InChI	InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-23,25,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey	OEUNIWGBYMEXOA-GXZPRZHNSA-N
Molecular Weight	398.631 g/mol
SMILES	O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](\C=C\CC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H]
SPLASH	splash10-000j-0098000000-1ec6c73001117abd071f
Source of Spectrum	X2-55-1592-3
Synonyms	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Wiley ID	1604625