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Etiocholanone TMS
SpectraBase Compound ID 9nVUZ4Yg98M
InChI InChI=1S/C22H38O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,21+,22+/m1/s1
InChIKey RKALSSDGCWGKHQ-JCNKSZRGSA-N
Mol Weight 362.6 g/mol
Molecular Formula C22H38O2Si
Exact Mass 362.264107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qJFwvGtbHc
Name 5.BETA.-ANDROSTAN-3.ALPHA.-OL-17-ONE-TRIMETHYLSILYL ETHER
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 362.264106997 u
Formula C22H38O2Si
InChI InChI=1S/C22H38O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,21+,22+/m1/s1
InChIKey RKALSSDGCWGKHQ-JCNKSZRGSA-N
Molecular Weight 362.629 g/mol
Nominal Mass 362 u
Number of Peaks 169
SMILES [C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)(O[Si](C)(C)C)[H]
SPLASH splash10-0096-5890000000-beaf91cd5d81ede85cab
Source File Reference LMCM-16197-649D
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-[(TRIMETHYLSILYL)OXY]ANDROSTAN-17-ONE (3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(trimethylsilyloxy)tetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_1084