(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

SpectraBase Compound ID	FX5pohJ7BkG
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,17-25,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21-,22+,23-,24-,25+,27+,28+/m0/s1
InChIKey	UGNNWZZLNDGUAB-LVDAEEOTSA-N Google Search
Mol Weight	414.7 g/mol
Molecular Formula	C28H46O2
Exact Mass	414.349781 g/mol

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SpectraBase Spectrum ID	6UHtrezHxY1
Name	(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O2
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,17-25,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21-,22+,23-,24-,25+,27+,28+/m0/s1
InChIKey	UGNNWZZLNDGUAB-LVDAEEOTSA-N
Molecular Weight	414.674 g/mol
SMILES	O[C@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])([H])CC([C@]2(C1)[H])=O)[H])C)[H]
SPLASH	splash10-03di-0001900000-1995d00f9fe57c9ed602
Source of Spectrum	KC-0-1498-17
Synonyms	(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID	783959