(4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromo-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

SpectraBase Compound ID	ASVYe0vl3XB
InChI	InChI=1S/C25H37BrO3/c1-15(5-10-23(28)29-4)18-8-9-19-17-7-6-16-13-22(27)21(26)14-25(16,3)20(17)11-12-24(18,19)2/h7,15-16,18-21H,5-6,8-14H2,1-4H3/t15-,16-,18-,19+,20+,21+,24-,25+/m1/s1
InChIKey	BQTPPISZDVQBQB-MZBLGIQSSA-N Google Search
Mol Weight	465.5 g/mol
Molecular Formula	C25H37BrO3
Exact Mass	464.192608 g/mol

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SpectraBase Spectrum ID	IvN9fah5snV
Name	(4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromo-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromo-3-keto-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromanyl-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(2S,5R,9R,10S,13R,14R,17R)-2-bromo-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
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Formula	C25H37BrO3
InChI	InChI=1S/C25H37BrO3/c1-15(5-10-23(28)29-4)18-8-9-19-17-7-6-16-13-22(27)21(26)14-25(16,3)20(17)11-12-24(18,19)2/h7,15-16,18-21H,5-6,8-14H2,1-4H3/t15-,16-,18-,19+,20+,21+,24-,25+/m1/s1
InChIKey	BQTPPISZDVQBQB-MZBLGIQSSA-N
Molecular Weight	465.472 g/mol
SMILES	C1=2[C@@]([C@]3(C[C@](Br)(C(C[C@]3(CC2)[H])=O)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H]
SPLASH	splash10-00kr-0009000000-aa477f1b66dd3ad8b535
Source of Spectrum	F-49-2492-14
Wiley ID	1391480