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

*Links on SpectraBase are not permalinks.

Cholest-5-en-3.beta.-ol, 19-methoxy-, p-toluenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cholest-5-en-3.beta.-ol, 19-methoxy-, p-toluenesulfonate
SpectraBase Compound ID ECNIZbrLCQn
InChI InChI=1S/C35H54O4S/c1-24(2)8-7-9-26(4)31-16-17-32-30-15-12-27-22-28(39-40(36,37)29-13-10-25(3)11-14-29)18-21-35(27,23-38-6)33(30)19-20-34(31,32)5/h10-14,24,26,28,30-33H,7-9,15-23H2,1-6H3
InChIKey VVJMYDIIEACKKB-UHFFFAOYSA-N
Mol Weight 570.9 g/mol
Molecular Formula C35H54O4S
Exact Mass 570.374281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID GUQd1oKMxcU
Name Cholest-5-en-3.beta.-ol, 19-methoxy-, p-toluenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.374281389 u
Formula C35H54O4S
InChI InChI=1S/C35H54O4S/c1-24(2)8-7-9-26(4)31-16-17-32-30-15-12-27-22-28(39-40(36,37)29-13-10-25(3)11-14-29)18-21-35(27,23-38-6)33(30)19-20-34(31,32)5/h10-14,24,26,28,30-33H,7-9,15-23H2,1-6H3
InChIKey VVJMYDIIEACKKB-UHFFFAOYSA-N
Molecular Weight 570.873 g/mol
SMILES C(OC)[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC=C2C[C@](CC1)(OS(=O)(=O)C1=CC=C(C=C1)C)[H])[H])[H]