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

SpectraBase Compound ID	CZPNUVF0MO4
InChI	InChI=1S/C25H36O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,11,13,16-17,20-22H,5-6,8-10,12,14-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1
InChIKey	QAHPNOXUBIUTRN-KSTBNIIGSA-N Google Search
Mol Weight	384.6 g/mol
Molecular Formula	C25H36O3
Exact Mass	384.266445 g/mol

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SpectraBase Spectrum ID	DatiwhY00Q6
Name	(4R)-4-[(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(5R,9S,10R,13R,14R,17R)-3-keto-10,13-dimethyl-4,5,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanylidene-4,5,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxo-4,5,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoate
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Formula	C25H36O3
InChI	InChI=1S/C25H36O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,11,13,16-17,20-22H,5-6,8-10,12,14-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1
InChIKey	QAHPNOXUBIUTRN-KSTBNIIGSA-N
Molecular Weight	384.560 g/mol
SMILES	C=12[C@]3([C@]([C@@]([C@@](CCC(=O)OC)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(C=CC(C[C@]2(CC1)[H])=O)C)[H])[H]
SPLASH	splash10-03fr-0492000000-4e76c94a555f9099d5ba
Source of Spectrum	F-49-2492-15
Wiley ID	1361871