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

*Links on SpectraBase are not permalinks.

Cholest-5-ene-3,16,26-triol, 26-(4-methylbenzenesulfonate), (3.beta.,16.beta.,25R)-

View entire compound with spectra: 1 MS (GC)

Cholest-5-ene-3,16,26-triol, 26-(4-methylbenzenesulfonate), (3.beta.,16.beta.,25R)-
SpectraBase Compound ID Jg2ETVdykja
InChI InChI=1S/C34H52O5S/c1-22-9-12-27(13-10-22)40(37,38)39-21-23(2)7-6-8-24(3)32-31(36)20-30-28-14-11-25-19-26(35)15-17-33(25,4)29(28)16-18-34(30,32)5/h9-13,23-24,26,28-32,35-36H,6-8,14-21H2,1-5H3/t23-,24-,26+,28-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey KXIHHYXAYAVFSU-DKEGJPKTSA-N
Mol Weight 572.8 g/mol
Molecular Formula C34H52O5S
Exact Mass 572.353546 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 BZgTbhMXCJj
Name Cholest-5-ene-3,16,26-triol, 26-(4-methylbenzenesulfonate), (3.beta.,16.beta.,25R)-
Alternate Name(s) (25R)-5-cholesten-3.beta.,16.beta.,26-triol-26-tosylate (3beta,16beta,25R)-3,16-dihydroxycholest-5-en-27-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester [(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 4-methylbenzenesulfonate [(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] 4-methylbenzenesulfonate [(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] 4-methylbenzenesulfonate
CAS Registry Number 71472-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O5S
InChI InChI=1S/C34H52O5S/c1-22-9-12-27(13-10-22)40(37,38)39-21-23(2)7-6-8-24(3)32-31(36)20-30-28-14-11-25-19-26(35)15-17-33(25,4)29(28)16-18-34(30,32)5/h9-13,23-24,26,28-32,35-36H,6-8,14-21H2,1-5H3/t23-,24-,26+,28-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey KXIHHYXAYAVFSU-DKEGJPKTSA-N
Molecular Weight 572.845 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCC[C@](COS(c4ccc(cc4)C)(=O)=O)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-00di-0394010000-b6d38a817f502018dee5
Source of Spectrum K-112-2687-0
Wiley ID 1407888