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3-Oxacholestane, (5.alpha.)-
SpectraBase Compound ID DUS3n535Da7
InChI InChI=1S/C26H46O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey GVCLNIUUVWZKHA-FHNVJLOUSA-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 KfAi1bw97IP
Name 3-Oxacholestane, (5.alpha.)-
CAS Registry Number 91796-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O
InChI InChI=1S/C26H46O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey GVCLNIUUVWZKHA-FHNVJLOUSA-N
Molecular Weight 374.653 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCOC4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-01b9-0069000000-41e165cc732306382ec8
Source of Spectrum J-49-3761-0
Synonyms Cyclopenta[5,6]naphtho[2,1-c]pyran, 3-oxacholestane deriv. (4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethylhexadecahydrocyclopenta[5,6]naphtho[2,1-c]pyran 3-Oxa-5.alpha.-cholestane
Wiley ID 1356999