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3-(18O)-20.beta.-OTMS-5.alpha.-pregnan-3-one
SpectraBase Compound ID LYzJm0nBWdt
InChI InChI=1S/C24H42O2Si/c1-16(26-27(4,5)6)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-17,19-22H,7-15H2,1-6H3/t16-,17-,19-,20?,21-,22-,23-,24+/m0/s1/i25+2
InChIKey OOGRAGPRNIWDCT-IJXYPLQISA-N
Mol Weight 392.7 g/mol
Molecular Formula C24H42O18OSi
Exact Mass 392.299652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47ejSSCgNVK
Name 3-(18O)-20.beta.-OTMS-5.alpha.-pregnan-3-one
Comments Original formula: C24H42O[18O]Si
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42O2Si
InChI InChI=1S/C24H42O2Si/c1-16(26-27(4,5)6)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-17,19-22H,7-15H2,1-6H3/t16-,17-,19-,20?,21-,22-,23-,24+/m0/s1/i25+2
InChIKey OOGRAGPRNIWDCT-IJXYPLQISA-N
Molecular Weight 392.683 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=[18O])C4)C)[H])[H])(CCC1[C@@](O[Si](C)(C)C)(C)[H])[H])C
SPLASH splash10-014i-0901000000-82da7cd870197b5dc10b
Source of Spectrum KO-3-163-1
Wiley ID 1365097