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B-Homo-A-norcholestan-6-one, oxime, (5.beta.,6E)-
SpectraBase Compound ID 3hmlEPUbqbR
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-25(28-29)24-10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-24,29H,6-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey XHQZTTTVWHQJGV-ZXDWHPMWSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EDJwd2AYjW
Name B-Homo-A-norcholestan-6-one, oxime, (5.beta.,6E)-
Alternate Name(s) B-Homo-A-norcholestan-6-one, oxime, (5.alpha.,6E)- (3aR,3bS,5aR,6R,8aS,8bS,11E,11aS)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethylhexadecahydro-11H-indeno[5,4-e]azulen-11-one oxime 11H-Indeno[5,4-e]azulene, B-homo-A-norcholestan-6-one deriv. A-Nor-B-homo-5.beta.-cholestan-6-one oxime A-nor-b-homo-5.alpha.-cholestan-6-one oxime
CAS Registry Number 82423-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-25(28-29)24-10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-24,29H,6-17H2,1-5H3/b28-25+/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey XHQZTTTVWHQJGV-ZXDWHPMWSA-N
Molecular Weight 401.679 g/mol
SMILES O\N=C/1CC[C@]2([C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CC[C@@]2([C@@]2([C@@]1(CCC2)[H])C)[H])C)[H])[H]
SPLASH splash10-001r-3309100000-b0136252fb445049256e
Source of Spectrum KC-1982-937-0
Wiley ID 1370083