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Cholest-8(14)-ene-3,7-diol, 3-acetate, (3.beta.,5.alpha.,7.alpha.)-
SpectraBase Compound ID 2uvGtdANzgL
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-23,25-26,31H,7-17H2,1-6H3/t19-,21-,22+,23-,25+,26-,28+,29-/m1/s1
InChIKey QAQXEBNIGRSQPZ-ABALRDGRSA-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 Bz989nURAXt
Name Cholest-8(14)-ene-3,7-diol, 3-acetate, (3.beta.,5.alpha.,7.alpha.)-
CAS Registry Number 56391-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-23,25-26,31H,7-17H2,1-6H3/t19-,21-,22+,23-,25+,26-,28+,29-/m1/s1
InChIKey QAQXEBNIGRSQPZ-ABALRDGRSA-N
Molecular Weight 444.700 g/mol
SMILES O[C@]1(C2=C3[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(C1)[H])[H])C)[H])C)[H]
SPLASH splash10-0006-0023900000-e4719e1bf224df5710e3
Source of Spectrum F-44-1946-14
Synonyms (3beta,5alpha,7alpha)-7-hydroxycholest-8(14)-en-3-yl acetate 5.alpha.-cholest-8(14)-ene-3.beta.,7.alpha.-diol 3-acetate
Wiley ID 1386174