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7-Oxacholestane, (5.alpha.)-
SpectraBase Compound ID B3sxKRAE5kc
InChI InChI=1S/C26H46O/c1-18(2)9-8-10-19(3)21-12-13-22-24-23(14-16-26(21,22)5)25(4)15-7-6-11-20(25)17-27-24/h18-24H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,24+,25+,26-/m1/s1
InChIKey NAXKTPRPPZFSJL-PSIZNTPASA-N
Mol Weight 374.7 g/mol
Molecular Formula C26H46O
Exact Mass 374.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wfRwcOIBYr
Name 7-Oxacholestane, (5.alpha.)-
CAS Registry Number 96647-92-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O
InChI InChI=1S/C26H46O/c1-18(2)9-8-10-19(3)21-12-13-22-24-23(14-16-26(21,22)5)25(4)15-7-6-11-20(25)17-27-24/h18-24H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,24+,25+,26-/m1/s1
InChIKey NAXKTPRPPZFSJL-PSIZNTPASA-N
Molecular Weight 374.653 g/mol
SMILES [C@@]12([C@]([C@@]3(OC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-014i-0591000000-161cd66a4f65ef6852d1
Source of Spectrum J-50-2493-35
Synonyms Benz[d]indeno[4,5-b]pyran, 7-oxacholestane deriv. (1R,3aR,3bS,5aS,9aS,9bR,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethylhexadecahydrobenzo[c]cyclopenta[h]chromene 7-Oxa-5.alpha.-cholestane
Wiley ID 1357002