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3-.beta.(tert-Butyldimethylsiloxy)-5,6-seco-6-oxa-6-methylandrostane-5,7,17-trione
SpectraBase Compound ID Aqnq1Xa7vc
InChI InChI=1S/C25H42O5Si/c1-23(2,3)31(7,8)30-16-11-13-25(5,20(27)15-16)18-12-14-24(4)17(9-10-19(24)26)21(18)22(28)29-6/h16-18,21H,9-15H2,1-8H3/t16-,17?,18?,21?,24-,25+/m0/s1
InChIKey WNPCNAXDOUACTC-RDBBGPRGSA-N
Mol Weight 450.7 g/mol
Molecular Formula C25H42O5Si
Exact Mass 450.280151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j2QevFOWNz
Name 3-.beta.(tert-Butyldimethylsiloxy)-5,6-seco-6-oxa-6-methylandrostane-5,7,17-trione
Alternate Name(s) Methyl (7aS)-5-((1R,4S)-4-{[tert-butyl(dimethyl)silyl]oxy}-1-methyl-2-oxocyclohexyl)-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate
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Formula C25H42O5Si
InChI InChI=1S/C25H42O5Si/c1-23(2,3)31(7,8)30-16-11-13-25(5,20(27)15-16)18-12-14-24(4)17(9-10-19(24)26)21(18)22(28)29-6/h16-18,21H,9-15H2,1-8H3/t16-,17?,18?,21?,24-,25+/m0/s1
InChIKey WNPCNAXDOUACTC-RDBBGPRGSA-N
Molecular Weight 450.691 g/mol
SMILES C12[C@@](C(=O)CC2)(CCC(C1C(=O)OC)[C@@]1(C(C[C@@](O[Si](C(C)(C)C)(C)C)(CC1)[H])=O)C)C
SPLASH splash10-01t9-9722000000-102967c21db8f4075a61
Source of Spectrum H1-38-1056-4
Wiley ID 756267