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

*Links on SpectraBase are not permalinks.
Cholest-7-en-6-one, 2,3,5,14,20-pentahydroxy-22,24-[(phenylmethylene)bis(oxy)]-, [2.beta.,3.beta.,5.beta.,22R(R),24S]-
SpectraBase Compound ID 2SMdBSvezcA
InChI InChI=1S/C34H48O8/c1-19(2)25-16-28(42-29(41-25)20-9-7-6-8-10-20)32(5,38)26-12-14-33(39)22-15-27(37)34(40)18-24(36)23(35)17-31(34,4)21(22)11-13-30(26,33)3/h6-10,15,19,21,23-26,28-29,35-36,38-40H,11-14,16-18H2,1-5H3/t21-,23-,24+,25-,26-,28+,29?,30+,31+,32+,33?,34+/m0/s1
InChIKey ZCVLLFZSVPKBSA-YTPCBACXSA-N
Mol Weight 584.8 g/mol
Molecular Formula C34H48O8
Exact Mass 584.334918 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 9menKAlPwdj
Name Cholest-7-en-6-one, 2,3,5,14,20-pentahydroxy-22,24-[(phenylmethylene)bis(oxy)]-, [2.beta.,3.beta.,5.beta.,22R(R),24S]-
CAS Registry Number 71725-97-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O8
InChI InChI=1S/C34H48O8/c1-19(2)25-16-28(42-29(41-25)20-9-7-6-8-10-20)32(5,38)26-12-14-33(39)22-15-27(37)34(40)18-24(36)23(35)17-31(34,4)21(22)11-13-30(26,33)3/h6-10,15,19,21,23-26,28-29,35-36,38-40H,11-14,16-18H2,1-5H3/t21-,23-,24+,25-,26-,28+,29?,30+,31+,32+,33?,34+/m0/s1
InChIKey ZCVLLFZSVPKBSA-YTPCBACXSA-N
Molecular Weight 584.750 g/mol
SMILES O[C@]([C@@]1([C@@]2(C(C3=CC([C@@]4(C[C@]([C@](C[C@@]4([C@]3(CC2)[H])C)(O)[H])(O)[H])O)=O)(CC1)O)C)[H])([C@@]1(OC(c2ccccc2)O[C@@](C1)(C(C)C)[H])[H])C
SPLASH splash10-0a4i-4925000000-e341ad765eda125ea92a
Source of Spectrum B-32-782-0
Synonyms (1R,2R,4S,5R,7S,14S,15R)-4,5,7,11-tetrahydroxy-14-[(1R)-1-hydroxy-1-[(4R,6S)-2-phenyl-6-(propan-2-yl)-1,3-dioxan-4-yl]ethyl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-9-en-8-one Ponasterone C 22.alpha.4-benzylidene acetal
Wiley ID 1408869