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Pregn-5-ene-3.beta.,17.alpha.,20.alpha.-triol, O3,O20-bis-TMS
SpectraBase Compound ID 9bXbBVe46Gh
InChI InChI=1S/C27H50O3Si2/c1-19(29-31(4,5)6)27(28)17-14-24-22-11-10-20-18-21(30-32(7,8)9)12-15-25(20,2)23(22)13-16-26(24,27)3/h10,19,21-24,28H,11-18H2,1-9H3/t19-,21+,22?,23?,24?,25+,26+,27+/m1/s1
InChIKey JKUJPHNVUQLZHQ-UCGHSQELSA-N
Mol Weight 478.9 g/mol
Molecular Formula C27H50O3Si2
Exact Mass 478.329849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QUdVNesKEX
Name Pregn-5-ene-3.beta.,17.alpha.,20.alpha.-triol, O3,O20-bis-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 478.329848537 u
Formula C27H50O3Si2
InChI InChI=1S/C27H50O3Si2/c1-19(29-31(4,5)6)27(28)17-14-24-22-11-10-20-18-21(30-32(7,8)9)12-15-25(20,2)23(22)13-16-26(24,27)3/h10,19,21-24,28H,11-18H2,1-9H3/t19-,21+,22?,23?,24?,25+,26+,27+/m1/s1
InChIKey JKUJPHNVUQLZHQ-UCGHSQELSA-N
Molecular Weight 478.864 g/mol
Nominal Mass 478 u
Number of Peaks 44
SMILES O[C@]1([C@](O[Si](C)(C)C)(C)[H])CCC2C3CC=C4C[C@@](O[Si](C)(C)C)(CC[C@]4(C)C3CC[C@]12C)[H]
SPLASH splash10-00di-2593000000-61c94c7633020328cbf8
Source File Reference DSHS_50_1093
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1093