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

*Links on SpectraBase are not permalinks.
4-OXO-5-BETA-CHOLESTAN-5-OL
SpectraBase Compound ID 9p4IFWfjB1A
InChI InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey KTMRGGHFNOAMRH-RJGGPJCOSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 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 FT5E3BQWxJ6
Name Cholestan-4-one, 5-hydroxy-, (5.beta.)-
CAS Registry Number 15222-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey KTMRGGHFNOAMRH-RJGGPJCOSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCCC1=O)C
SPLASH splash10-053r-0009000000-f9e53ddbace9265c5cdd
Source of Spectrum KC-1982-927-0
Synonyms (5beta)-5-hydroxycholestan-4-one 4-Oxo-5.beta.-cholestan-5-ol 5.beta.-cholestan-4-one, 5-hydroxy-
Wiley ID 1370682