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3,17-diketo-4,4,13-trimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
SpectraBase Compound ID 1Wt6L8x1utm
InChI InChI=1S/C21H30O4/c1-19(2)15-6-4-12-13-5-7-17(23)20(13,3)10-8-14(12)21(15,18(24)25)11-9-16(19)22/h12-15H,4-11H2,1-3H3,(H,24,25)
InChIKey SLROTJYGPHGJGI-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9Z4BuFH5zN
Name 3,17-diketo-4,4,13-trimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
Alternate Name(s) 4,4,13-trimethyl-3,17-bis(oxidanylidene)-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid 4,4,13-trimethyl-3,17-dioxo-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid 4,4-Dimethyl-3,17-dioxoandrostan-19-oic acid 4,4-Dimethylandrosta-3,17-dion-19-oic acid
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-19(2)15-6-4-12-13-5-7-17(23)20(13,3)10-8-14(12)21(15,18(24)25)11-9-16(19)22/h12-15H,4-11H2,1-3H3,(H,24,25)
InChIKey SLROTJYGPHGJGI-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES OC(C12CCC(C(C2CCC2C1CCC1(C2CCC1=O)C)(C)C)=O)=O
SPLASH splash10-0002-8965000000-8913cdf275464adb1f20
Wiley ID 1479477