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

*Links on SpectraBase are not permalinks.
Cholestan-4-one, 5-(formyloxy)-, (5.beta.)-
SpectraBase Compound ID DJggCUrILt8
InChI InChI=1S/C28H46O3/c1-19(2)8-6-9-20(3)22-11-12-23-21-13-17-28(31-18-29)25(30)10-7-15-27(28,5)24(21)14-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t20-,21?,22-,23?,24?,26-,27-,28+/m1/s1
InChIKey YHQZEAVFQIDOEX-HPSCKUQBSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 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 BeWgPXFVhYa
Name Cholestan-4-one, 5-(formyloxy)-, (5.beta.)-
Alternate Name(s) (5beta)-4-oxocholestan-5-yl formate 4-Oxo-5.beta.-cholestan-5-yl formate
CAS Registry Number 82423-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-19(2)8-6-9-20(3)22-11-12-23-21-13-17-28(31-18-29)25(30)10-7-15-27(28,5)24(21)14-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t20-,21?,22-,23?,24?,26-,27-,28+/m1/s1
InChIKey YHQZEAVFQIDOEX-HPSCKUQBSA-N
Molecular Weight 430.673 g/mol
SMILES [C@@]12(C(C3CC[C@]4([C@@](C3CC2)(CCCC4=O)C)OC=O)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-001i-0009100000-c9abcfa08a14eafa7656
Source of Spectrum KC-1982-927-0
Wiley ID 1381766