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Cholestane-3,5-diol, 5-acetate, (3beta,5alpha)-
SpectraBase Compound ID 8DzqlL2skoj
InChI InChI=1S/C27H48O.C2H4O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;1-2(3)4/h18-25,28H,6-17H2,1-5H3;1H3,(H,3,4)
InChIKey DFDYEBOSTVGJJF-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C29H52O3
Exact Mass 448.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7lVi30h3Qc
Name CHOLESTANE-3,5-DIOL, 5-ACETATE, (3beta,5alpha)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C27H48O.C2H4O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;1-2(3)4/h18-25,28H,6-17H2,1-5H3;1H3,(H,3,4)
InChIKey DFDYEBOSTVGJJF-UHFFFAOYSA-N
Molecular Weight 448.3903
SMILES OC(=O)C.OC1CC2C(C)(C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC2)CC1
SPLASH splash10-0a4l-9823000000-1bcfd16a8e2bd2c6e67e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany