(4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-3-keto-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester

SpectraBase Compound ID	EA2sRmk5EAc
InChI	InChI=1S/C27H44O3/c1-17(7-12-24(29)30-6)19-9-10-20-18-8-11-22-25(2,3)23(28)14-16-27(22,5)21(18)13-15-26(19,20)4/h17-22H,7-16H2,1-6H3/t17-,18+,19-,20+,21+,22+,26-,27-/m1/s1
InChIKey	XUZWEQJSEQNKEN-DXMULXHCSA-N Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C27H44O3
Exact Mass	416.329045 g/mol

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SpectraBase Spectrum ID	I9XfPckQWLe
Name	(4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-3-keto-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
CAS Registry Number	115540-21-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O3
InChI	InChI=1S/C27H44O3/c1-17(7-12-24(29)30-6)19-9-10-20-18-8-11-22-25(2,3)23(28)14-16-27(22,5)21(18)13-15-26(19,20)4/h17-22H,7-16H2,1-6H3/t17-,18+,19-,20+,21+,22+,26-,27-/m1/s1
InChIKey	XUZWEQJSEQNKEN-DXMULXHCSA-N
Molecular Weight	416.646 g/mol
SMILES	[C@@]12([C@](C(C)(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCC(=O)OC)(C)[H])[H])[H])[H])[H])C
SPLASH	splash10-014i-0031900000-ece6c637477e4728a1ca
Source of Spectrum	F-43-4157-15
Synonyms	(4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxidanylidene-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	1376620