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(8S,20R)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-allyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
SpectraBase Compound ID Eijc9wB1vty
InChI InChI=1S/C26H48O3Si/c1-9-28-24(27)17-19-25(6,7)20(5)21-15-16-22-23(14-13-18-26(21,22)8)29-30(10-2,11-3)12-4/h17,19-23H,9-16,18H2,1-8H3/t20-,21-,22+,23+,26-/m1/s1
InChIKey ZOGDKYUUFFQKCB-YLGSOMAFSA-N
Mol Weight 436.8 g/mol
Molecular Formula C26H48O3Si
Exact Mass 436.337272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 238sdKyxTE
Name (8S,20R)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-allyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
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Formula C26H48O3Si
InChI InChI=1S/C26H48O3Si/c1-9-28-24(27)17-19-25(6,7)20(5)21-15-16-22-23(14-13-18-26(21,22)8)29-30(10-2,11-3)12-4/h17,19-23H,9-16,18H2,1-8H3/t20-,21-,22+,23+,26-/m1/s1
InChIKey ZOGDKYUUFFQKCB-YLGSOMAFSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 436.752 g/mol
Optical Rotation [a]D = +18.1 (c = 1.0, CHCl3)
Reported Formula C26H48O3Si
SMILES C1C[C@]2([C@]([C@](C1)(O[Si](CC)(CC)CC)[H])(CC[C@@]2([C@@](C)(C(C)(C)C=CC(OCC)=O)[H])[H])[H])C
SPLASH splash10-002f-0890000000-6078dce971ac54754dc5
Source of Spectrum AF-55-SM10-32
Wiley ID 1852060