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(23S,24S)-3.beta.-Acetoxy-23-hydroxy-24-methyl-5.alpha.-cholestan-6-one
SpectraBase Compound ID FnMrxv6fOgX
InChI InChI=1S/C30H50O4/c1-17(2)19(4)27(32)14-18(3)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-/m1/s1
InChIKey MICOTSPTUYVJMC-BWLZJINNSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzYEyF5uCPQ
Name (23S,24S)-3.beta.-Acetoxy-23-hydroxy-24-methyl-5.alpha.-cholestan-6-one
Alternate Name(s) (3beta,5alpha,23S,24S)-23-hydroxy-6-oxoergostan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-17(2)19(4)27(32)14-18(3)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-/m1/s1
InChIKey MICOTSPTUYVJMC-BWLZJINNSA-N
Molecular Weight 474.726 g/mol
SMILES O[C@@](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)[H])[H]
SPLASH splash10-052f-0009200000-3d3f617fdc1e6671b5ad
Source of Spectrum F-53-17052-21
Wiley ID 804714