(4R)-4-[(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,7,16-trioxo-1,2,4,5,6,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

SpectraBase Compound ID	4seP3LeFHwr
InChI	InChI=1S/C25H36O5/c1-14(5-6-21(29)30-4)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-15,17-18,22-23H,5-13H2,1-4H3/t14-,15+,17+,18+,22-,23+,24+,25+/m1/s1
InChIKey	VUQMEXAQSLRBIZ-WFCJLMRNSA-N Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C25H36O5
Exact Mass	416.256274 g/mol

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SpectraBase Spectrum ID	Frfaaxnxfed
Name	(4R)-4-[(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,7,16-trioxo-1,2,4,5,6,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(5S,8R,9S,10S,13S,14S,17R)-3,7,16-triketo-10,13-dimethyl-1,2,4,5,6,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,7,16-trioxo-1,2,4,5,6,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,7,16-tris(oxidanylidene)-1,2,4,5,6,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
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Formula	C25H36O5
InChI	InChI=1S/C25H36O5/c1-14(5-6-21(29)30-4)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-15,17-18,22-23H,5-13H2,1-4H3/t14-,15+,17+,18+,22-,23+,24+,25+/m1/s1
InChIKey	VUQMEXAQSLRBIZ-WFCJLMRNSA-N
Molecular Weight	416.558 g/mol
SMILES	C1(CC[C@]2([C@@](C1)(CC([C@]1([C@@]3(CC([C@]([C@@](CCC(=O)OC)(C)[H])([C@@]3(C)CC[C@]21[H])[H])=O)[H])[H])=O)[H])C)=O
SPLASH	splash10-000i-0095400000-f402624ce8f2da59972c
Source of Spectrum	E2-50-1332-16
Wiley ID	1555951