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(22E,24S)-24-Methyl-5.alpha.-cholesta-7,22-diene-3.beta.,5,.6.beta.,9-tetraol
SpectraBase Compound ID 4DTUOMzAkwu
InChI InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,24-,25-,26-,27?,28+/m1/s1
InChIKey NYMHFYDQBMRBMB-SLROKWJESA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3h7iwd5oE5M
Name (22E,24S)-24-Methyl-5.alpha.-cholesta-7,22-diene-3.beta.,5,.6.beta.,9-tetraol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,24-,25-,26-,27?,28+/m1/s1
InChIKey NYMHFYDQBMRBMB-SLROKWJESA-N
Molecular Weight 446.672 g/mol
SMILES O[C@]1(CC[C@]2([C@@]([C@@](C=C3C2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])[H])C)O)(O)[H])(C1)O)C)[H]
SPLASH splash10-040a-0074900000-4e9a8408df46361807ea
Source of Spectrum X2-53-1423-3
Synonyms (3beta,5alpha,6beta,22E,24S)-ergosta-7,22-diene-3,5,6,9-tetrol
Wiley ID 1603782