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3-.beta.(tert-Butyldimethylsiloxy)-5,6-seco-6-methoxyandrostane-5,6,7,17-tetraone
SpectraBase Compound ID BQfae6L0snJ
InChI InChI=1S/C26H42O6Si/c1-24(2,3)33(7,8)32-16-11-13-26(5,20(28)15-16)18-12-14-25(4)17(9-10-19(25)27)21(18)22(29)23(30)31-6/h16-18,21H,9-15H2,1-8H3/t16-,17+,18?,21?,25+,26+/m0/s1
InChIKey XBWGZKVFTYQKAB-CFRZRFNTSA-N
Mol Weight 478.7 g/mol
Molecular Formula C26H42O6Si
Exact Mass 478.275066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83fdWiBiMaa
Name 3-.beta.(tert-Butyldimethylsiloxy)-5,6-seco-6-methoxyandrostane-5,6,7,17-tetraone
Alternate Name(s) Methyl[(3aR,7aR)-5-((1R,4S)-4-{[tert-butyl(dimethyl)silyl]oxy}-1-methyl-2-oxocyclohexyl)-7a-methyl-1-oxooctahydro-1H-inden-4-yl](oxo)acetate
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Formula C26H42O6Si
InChI InChI=1S/C26H42O6Si/c1-24(2,3)33(7,8)32-16-11-13-26(5,20(28)15-16)18-12-14-25(4)17(9-10-19(25)27)21(18)22(29)23(30)31-6/h16-18,21H,9-15H2,1-8H3/t16-,17+,18?,21?,25+,26+/m0/s1
InChIKey XBWGZKVFTYQKAB-CFRZRFNTSA-N
Molecular Weight 478.701 g/mol
SMILES C1([C@@]2([C@@](C(=O)CC2)(C)CCC1[C@@]1(C(C[C@@](O[Si](C(C)(C)C)(C)C)(CC1)[H])=O)C)[H])C(C(=O)OC)=O
SPLASH splash10-0059-9003100000-6ffa31df1566c0c7f750
Source of Spectrum H1-38-1057-5
Wiley ID 756266