(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1S)-2-methyl-3-propan-2-yl-1-cycloprop-2-enyl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	1bhJp1aGVCH
InChI	InChI=1S/C29H46O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-18,21-26,30H,8-16H2,1-6H3/t18-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey	HBUXJBGKOKXRBP-IBQLDKMXSA-N Google Search
Mol Weight	410.7 g/mol
Molecular Formula	C29H46O
Exact Mass	410.354866 g/mol

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SpectraBase Spectrum ID	Lax94yNEPUY
Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1S)-2-methyl-3-propan-2-yl-1-cycloprop-2-enyl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number	85798-19-2
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H46O
InChI	InChI=1S/C29H46O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-18,21-26,30H,8-16H2,1-6H3/t18-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey	HBUXJBGKOKXRBP-IBQLDKMXSA-N
Molecular Weight	410.686 g/mol
SMILES	O[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](C[C@@]4(C(=C4C)C(C)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H]
SPLASH	splash10-052b-9650000000-06abe5990e479eb7f77a
Source of Spectrum	K1-2000-1033-2
Synonyms	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1S)-2-methyl-3-propan-2-yl-cycloprop-2-en-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-2-[(1S)-2-isopropyl-3-methyl-cycloprop-2-en-1-yl]-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID	749907