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Cholest-7-en-6-one, 2,3,5,14,24-pentahydroxy-20,22-[(phenylmethylene)bis(oxy)]-, (2.beta.,3.beta.,5.beta.,22R,24S)-
SpectraBase Compound ID 1esUBnjxWF3
InChI InChI=1S/C34H48O8/c1-19(2)23(35)16-28-32(5,42-29(41-28)20-9-7-6-8-10-20)26-12-14-33(39)22-15-27(38)34(40)18-25(37)24(36)17-31(34,4)21(22)11-13-30(26,33)3/h6-10,15,19,21,23-26,28-29,35-37,39-40H,11-14,16-18H2,1-5H3/t21-,23-,24-,25+,26-,28+,29?,30+,31+,32+,33?,34+/m0/s1
InChIKey DPQFFIWJOFYXCI-QUJILXMTSA-N
Mol Weight 584.8 g/mol
Molecular Formula C34H48O8
Exact Mass 584.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4cukY4eWkS
Name Cholest-7-en-6-one, 2,3,5,14,24-pentahydroxy-20,22-[(phenylmethylene)bis(oxy)]-, (2.beta.,3.beta.,5.beta.,22R,24S)-
CAS Registry Number 71725-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O8
InChI InChI=1S/C34H48O8/c1-19(2)23(35)16-28-32(5,42-29(41-28)20-9-7-6-8-10-20)26-12-14-33(39)22-15-27(38)34(40)18-25(37)24(36)17-31(34,4)21(22)11-13-30(26,33)3/h6-10,15,19,21,23-26,28-29,35-37,39-40H,11-14,16-18H2,1-5H3/t21-,23-,24-,25+,26-,28+,29?,30+,31+,32+,33?,34+/m0/s1
InChIKey DPQFFIWJOFYXCI-QUJILXMTSA-N
Molecular Weight 584.750 g/mol
SMILES O[C@@](C[C@]1(OC(O[C@@]1([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)c1ccccc1)[H])(C(C)C)[H]
SPLASH splash10-053r-0901000000-177bb85daef347d423e6
Source of Spectrum B-32-782-0
Synonyms (2beta,3beta,5beta,17beta)-2,3,5,14-tetrahydroxy-17-{(4R,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-methyl-2-phenyl-1,3-dioxolan-4-yl}androst-7-en-6-one Ponasterone C 20,22-benzylidene acetal
Wiley ID 1408870