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(1.alpha.,3.beta.,22R,24S)-22-butylcholesta-5,7-diene-1,3,24-triol
SpectraBase Compound ID DRStQ4DI14n
InChI InChI=1S/C31H52O3/c1-7-8-9-21(16-28(33)19(2)3)20(4)25-12-13-26-24-11-10-22-17-23(32)18-29(34)31(22,6)27(24)14-15-30(25,26)5/h10-11,19-21,23,25-29,32-34H,7-9,12-18H2,1-6H3/t20-,21-,23-,25-,26+,27+,28+,29+,30-,31+/m1/s1
InChIKey OLXCYJHBHJSPAW-ALWXJNLBSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7TE1eA4bBr
Name (1.alpha.,3.beta.,22R,24S)-22-butylcholesta-5,7-diene-1,3,24-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-7-8-9-21(16-28(33)19(2)3)20(4)25-12-13-26-24-11-10-22-17-23(32)18-29(34)31(22,6)27(24)14-15-30(25,26)5/h10-11,19-21,23,25-29,32-34H,7-9,12-18H2,1-6H3/t20-,21-,23-,25-,26+,27+,28+,29+,30-,31+/m1/s1
InChIKey OLXCYJHBHJSPAW-ALWXJNLBSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm8014348
Molecular Weight 472.754 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2([C@](C1)(O)[H])C)[H])C)([C@@]([C@@](C[C@](O)(C(C)C)[H])(CCCC)[H])(C)[H])[H])[H])[H]
SPLASH splash10-0a4i-9000500000-29a7a245e04314945e9a
Source of Spectrum AF-52-1447-28
Wiley ID 1873722