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5.alpha.-chloestane-6.7-dione 6-oxime
SpectraBase Compound ID 85y2FJ9slHP
InChI InChI=1S/C27H45NO2/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-27(19,20)5)26(4)15-7-6-11-22(26)24(28-30)25(23)29/h17-23,30H,6-16H2,1-5H3/b28-24+/t18?,19?,20?,21?,22-,23?,26?,27?/m1/s1
InChIKey KUQYYUFVIMRFGP-MXOMWKCJSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bwd0H3NKXJf
Name 5.alpha.-chloestane-6.7-dione 6-oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-27(19,20)5)26(4)15-7-6-11-22(26)24(28-30)25(23)29/h17-23,30H,6-16H2,1-5H3/b28-24+/t18?,19?,20?,21?,22-,23?,26?,27?/m1/s1
InChIKey KUQYYUFVIMRFGP-MXOMWKCJSA-N
Molecular Weight 415.662 g/mol
SMILES O\N=C\1C(C2C3C(C(C(CCCC(C)C)C)CC3)(C)CCC2C2([C@@]1(CCCC2)[H])C)=O
SPLASH splash10-00ke-9008200000-f6b3fd566eb7f943104c
Source of Spectrum AJ-61-4013-19
Synonyms (5alpha)-cholestane-6,7-dione 6-oxime
Wiley ID 1376101