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3-(18O)-20.beta.-OTMS-4-pregnen-3-one
SpectraBase Compound ID G8FK1k84sgZ
InChI InChI=1S/C24H40O2Si/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/h15-16,19-22H,7-14H2,1-6H3/t16-,19-,20?,21-,22-,23-,24+/m0/s1/i25+2
InChIKey XJUCFBORIYUVJT-YJDKKPAGSA-N
Mol Weight 390.7 g/mol
Molecular Formula C24H40O18OSi
Exact Mass 390.284002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QaVXyx9wXs
Name 3-(18O)-20.beta.-OTMS-4-pregnen-3-one
Comments Original formula: C24H40O[18O]Si
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O2Si
InChI InChI=1S/C24H40O2Si/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/h15-16,19-22H,7-14H2,1-6H3/t16-,19-,20?,21-,22-,23-,24+/m0/s1/i25+2
InChIKey XJUCFBORIYUVJT-YJDKKPAGSA-N
Molecular Weight 390.667 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=[18O])C4)C)[H])(CCC1[C@@](O[Si](C)(C)C)(C)[H])[H])C
SPLASH splash10-014i-0902000000-d374f32ee09c35aac327
Source of Spectrum KO-3-163-1
Wiley ID 1364059