For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholestan-11-one, (5.alpha.,14.beta.)-
SpectraBase Compound ID KwJok2Gi38Q
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)25(21)24(28)17-27(22,23)5/h18-23,25H,6-17H2,1-5H3/t19-,20-,21+,22-,23-,25-,26+,27-/m1/s1
InChIKey UVQLQNWMLPIROZ-BYBPFRLTSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HmW6nL3MY48
Name Cholestan-11-one, (5.alpha.,14.beta.)-
CAS Registry Number 69483-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)25(21)24(28)17-27(22,23)5/h18-23,25H,6-17H2,1-5H3/t19-,20-,21+,22-,23-,25-,26+,27-/m1/s1
InChIKey UVQLQNWMLPIROZ-BYBPFRLTSA-N
Molecular Weight 386.664 g/mol
SMILES [C@@]12([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(C(C2)=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-000i-6965000000-0832a6770850ddafa470
Source of Spectrum O-15-43-1
Synonyms (5alpha,14beta)-cholestan-11-one 5.alpha.,.14.beta.-cholestan-11-one 5.alpha.,14.beta.-cholestan-11-one 5.alpha.,14.beta.-Cholestane-11-one
Wiley ID 55917