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2-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,12-dioxo-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoic acid methyl ester
SpectraBase Compound ID KiH9Ejt1MG7
InChI InChI=1S/C23H30O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h9-11,13,16-19H,5-8,12H2,1-4H3/t13?,16-,17+,18-,19-,22-,23+/m0/s1
InChIKey KQZGJPPVCAJKCI-AJJNNMJWSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjAvBT6fidN
Name 2-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,12-dioxo-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoic acid methyl ester
Alternate Name(s) 2-[(8R,9S,10R,13S,14S,17R)-3,12-diketo-10,13-dimethyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propionic acid methyl ester Methyl 2-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,12-bis(oxidanylidene)-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoate Methyl 2-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,12-dioxo-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoate
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Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h9-11,13,16-19H,5-8,12H2,1-4H3/t13?,16-,17+,18-,19-,22-,23+/m0/s1
InChIKey KQZGJPPVCAJKCI-AJJNNMJWSA-N
Molecular Weight 370.489 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2=O)[H])(C=CC(=O)C4)C)[H])(CC[C@@]1(C(C(=O)OC)C)[H])[H])C
SPLASH splash10-00di-0911000000-c974fdb0681c5a9e5a95
Source of Spectrum F-37-2513-0
Wiley ID 1354559