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Methyl 2-((13S)-3-(tert-butyldimethylsilyloxy)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate
SpectraBase Compound ID CPxWnda411S
InChI InChI=1S/C27H40O4Si/c1-26(2,3)32(6,7)31-19-9-11-20-17(14-19)8-10-22-21(20)12-13-27(4)23(22)15-18(25(27)29)16-24(28)30-5/h9,11,14,18,21-23H,8,10,12-13,15-16H2,1-7H3/t18?,21?,22?,23?,27-/m0/s1
InChIKey IVQFWZCNSRDXNH-UGPRAZGESA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H40O4Si
Exact Mass 456.269586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbHdt5JLpIe
Name Methyl 2-((13S)-3-(tert-butyldimethylsilyloxy)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate
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Formula C27H40O4Si
InChI InChI=1S/C27H40O4Si/c1-26(2,3)32(6,7)31-19-9-11-20-17(14-19)8-10-22-21(20)12-13-27(4)23(22)15-18(25(27)29)16-24(28)30-5/h9,11,14,18,21-23H,8,10,12-13,15-16H2,1-7H3/t18?,21?,22?,23?,27-/m0/s1
InChIKey IVQFWZCNSRDXNH-UGPRAZGESA-N
Molecular Weight 456.698 g/mol
SMILES [C@@]12(C(C3CCc4c(C3CC2)ccc(O[Si](C(C)(C)C)(C)C)c4)CC(C1=O)CC(=O)OC)C
SPLASH splash10-052b-0109500000-e8b0f089b7a98189f24b
Source of Spectrum G2-3-514-3
Synonyms Methyl 2-[3' (tert-butyldimethylsilyloxy)-17'-oxo-1',3',5'(10')-estratrien-16'.alpha./.beta.-yl]-acetate Methyl 2-[3-(tert-butyldimethylsilyloxy)-17-oxo-1,3,5(10)-estratrien-16-yl]-acetate [(S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl]-acetic acid methyl ester
Wiley ID 1661475