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

*Links on SpectraBase are not permalinks.
(22S,24S)-3.beta.-Acetoxy-22-hydroxy-24-methyl-5.alpha.-cholestan-6-one
SpectraBase Compound ID FFSPqP8aYN0
InChI InChI=1S/C30H50O4/c1-17(2)18(3)14-27(32)19(4)23-8-9-24-22-16-28(33)26-15-21(34-20(5)31)10-12-30(26,7)25(22)11-13-29(23,24)6/h17-19,21-27,32H,8-16H2,1-7H3/t18-,19-,21-,22-,23+,24-,25-,26+,27-,29+,30+/m0/s1
InChIKey RXJIBMCVHIKTDO-RNEZWAKFSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 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 KJvDtp8FcPU
Name (22S,24S)-3.beta.-Acetoxy-22-hydroxy-24-methyl-5.alpha.-cholestan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-17(2)18(3)14-27(32)19(4)23-8-9-24-22-16-28(33)26-15-21(34-20(5)31)10-12-30(26,7)25(22)11-13-29(23,24)6/h17-19,21-27,32H,8-16H2,1-7H3/t18-,19-,21-,22-,23+,24-,25-,26+,27-,29+,30+/m0/s1
InChIKey RXJIBMCVHIKTDO-RNEZWAKFSA-N
Molecular Weight 474.726 g/mol
SMILES O[C@]([C@]([C@@]1([C@]2(CC[C@]3([C@@]([C@@]2(CC1)[H])([H])CC([C@@]1([C@@]3(CC[C@](OC(=O)C)(C1)[H])C)[H])=O)[H])C)[H])(C)[H])(C[C@@](C(C)C)(C)[H])[H]
SPLASH splash10-0udi-0009000000-0964721994fcf8961334
Source of Spectrum F-53-17052-19
Synonyms (3beta,5alpha,22S)-22-hydroxy-6-oxoergostan-3-yl acetate
Wiley ID 804717