(5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	GRgkFcHBfvT
InChI	InChI=1S/C29H46O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h8-9,13,17,19-21,23-26,31H,7,10-12,14-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,27-,28-,29-/m1/s1
InChIKey	QRFLVLDSWBBSEL-JPVZOQGDSA-N Google Search
Mol Weight	426.7 g/mol
Molecular Formula	C29H46O2
Exact Mass	426.349781 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	29QBLPjM7Xe
Name	(5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H46O2
InChI	InChI=1S/C29H46O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h8-9,13,17,19-21,23-26,31H,7,10-12,14-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,27-,28-,29-/m1/s1
InChIKey	QRFLVLDSWBBSEL-JPVZOQGDSA-N
Molecular Weight	426.685 g/mol
SMILES	O[C@@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C=C2)[H])(CC[C@@]4([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])(CCC(=O)C1)C
SPLASH	splash10-0a4i-0000900000-457927a566d1c8070947
Source of Spectrum	KC-0-2356-5
Synonyms	(5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-5-oxidanyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5-hydroxy-10,13-dimethyl-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID	830879