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

SpectraBase Compound ID	HEMAQaW6OGf
InChI	InChI=1S/C27H42O3/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/h11,17-21H,7-10,12-16H2,1-6H3/t17-,18+,19-,20+,21+,26-,27-/m1/s1
InChIKey	PPBPYGUCLBGWLZ-IBIBGPFUSA-N Google Search
Mol Weight	414.6 g/mol
Molecular Formula	C27H42O3
Exact Mass	414.313395 g/mol

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SpectraBase Spectrum ID	OK1NXChmxN
Name	(4R)-4-[(8S,9S,10R,13R,14S,17R)-3-keto-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
CAS Registry Number	38623-29-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H42O3
InChI	InChI=1S/C27H42O3/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/h11,17-21H,7-10,12-16H2,1-6H3/t17-,18+,19-,20+,21+,26-,27-/m1/s1
InChIKey	PPBPYGUCLBGWLZ-IBIBGPFUSA-N
Molecular Weight	414.630 g/mol
SMILES	C1=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H])(CCC(C1(C)C)=O)C
SPLASH	splash10-00di-0900200000-b5c8f49a223c94e031b0
Source of Spectrum	F-43-4156-8
Synonyms	(4R)-4-[(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxidanylidene-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-3-oxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	1375694