(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one

SpectraBase Compound ID	5EpCJfRc5N6
InChI	InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-25,30,32H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey	PMNNRRLMGLZYLF-DYWRDPKLSA-N Google Search
Mol Weight	446.7 g/mol
Molecular Formula	C29H50O3
Exact Mass	446.375995 g/mol

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SpectraBase Spectrum ID	DNEuU1kUkr2
Name	(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H50O3
InChI	InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-25,30,32H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey	PMNNRRLMGLZYLF-DYWRDPKLSA-N
Molecular Weight	446.716 g/mol
SMILES	O[C@]1(CC[C@]2([C@@](C(C[C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])C)[H])[H])=O)(C1)O)C)[H]
SPLASH	splash10-0w4s-0011900000-3235f56f58fd48659810
Source of Spectrum	X2-55-1311-1
Synonyms	(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-3,5-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one (3S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Wiley ID	1604594