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24-Hydroperoxy-24-vinylcholesterol

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24-Hydroperoxy-24-vinylcholesterol
SpectraBase Compound ID 48SqqDTS6Hf
InChI InChI=1S/C29H48O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1
InChIKey WLNWTSOEOWZEGI-SVSQYMGHSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zj9ZJgx1q7
Name 24-Hydroperoxy-24-vinylcholesterol
Alternate Name(s) (3S,8S,9S,10R,13R,14S,17R)-17-((2R)-5-hydroperoxy-5-isopropylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1
InChIKey WLNWTSOEOWZEGI-SVSQYMGHSA-N
Literature Reference DOI 10.1002/jccs.200100118
Molecular Weight 444.700 g/mol
SMILES O[C@@]1(CC2=CC[C@]3([C@@]4(CC[C@]([C@@](CCC(OO)(C(C)C)C=C)(C)[H])([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H])[H])[H]
SPLASH splash10-05fr-2392000000-eb931b101903deb1a424
Source of Spectrum QA-48-825-7
Wiley ID 1797677