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Cholesta-5,23-diene-3,25-diol, 3-acetate, (3.beta.,23E)-
SpectraBase Compound ID JCEVVu7BeaY
InChI InChI=1S/C29H46O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h7,9,15,19,22-26,31H,8,10-14,16-18H2,1-6H3/b15-7+/t19-,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey ZVNVBOZISOMHQD-NSUWQXGUSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y8lAlBzuFH
Name Cholesta-5,23-diene-3,25-diol, 3-acetate, (3.beta.,23E)-
CAS Registry Number 83917-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h7,9,15,19,22-26,31H,8,10-14,16-18H2,1-6H3/b15-7+/t19-,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey ZVNVBOZISOMHQD-NSUWQXGUSA-N
Molecular Weight 442.684 g/mol
SMILES OC(\C=C\C[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC1)C)[H])(C)[H])(C)C
SPLASH splash10-001i-4293000000-8ccfbb456077848d6b1f
Source of Spectrum H-65-1513-0
Synonyms (23E)-(5,23-cholestadien-3.beta.,25-diol)-3-acetate (3beta,23E)-25-hydroxycholesta-5,23-dien-3-yl acetate
Wiley ID 1385508