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Cholestane-3-carboxaldehyde, (3.beta.,5.alpha.)-
SpectraBase Compound ID ETgzwhJ0kvK
InChI InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h18-26H,6-17H2,1-5H3/t20-,21?,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey KHSFZPFQKGRPTM-IOESSVONSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvOVx0gPYa6
Name Cholestane-3-carboxaldehyde, (3.beta.,5.alpha.)-
CAS Registry Number 63865-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h18-26H,6-17H2,1-5H3/t20-,21?,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey KHSFZPFQKGRPTM-IOESSVONSA-N
Molecular Weight 400.691 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(C=O)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0f7k-0079600000-08d05408f6728003df1e
Source of Spectrum AJ-58-1989-6
Synonyms (5alpha)-cholestane-3-carbaldehyde 3-Formyl-5a-cholestane
Wiley ID 1369827