(4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

SpectraBase Compound ID	5YSTTtaTCmY
InChI	InChI=1S/C25H36O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h9,15-16,18-19,21H,5-8,10-14H2,1-4H3/t15-,16-,18+,19-,21+,24+,25-/m1/s1
InChIKey	SBPNIYMLNPXKDE-QVYMLZMISA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C25H36O4
Exact Mass	400.26136 g/mol

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SpectraBase Spectrum ID	9sSpMVXteoJ
Name	(4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(5R,8R,9S,10S,13R,17R)-3,12-diketo-10,13-dimethyl-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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Formula	C25H36O4
InChI	InChI=1S/C25H36O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h9,15-16,18-19,21H,5-8,10-14H2,1-4H3/t15-,16-,18+,19-,21+,24+,25-/m1/s1
InChIKey	SBPNIYMLNPXKDE-QVYMLZMISA-N
Molecular Weight	400.559 g/mol
SMILES	C1(CC[C@]2([C@@](C1)(CC[C@]1(C3=CC[C@]([C@@](CCC(=O)OC)(C)[H])([C@@]3(C)C(C[C@]21[H])=O)[H])[H])[H])C)=O
SPLASH	splash10-000i-0090100000-fa33f52506759177a6a8
Source of Spectrum	U1-1998-2830-38
Wiley ID	752047