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Cholesta-5,17(20)-dien-3-ol, acetate, (3.beta.,17Z)-
SpectraBase Compound ID J60WYYmrz8j
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,23-24,26-27H,7-9,11-18H2,1-6H3/b25-20-
InChIKey VATJYEZLSWNEDZ-QQTULTPQSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H598wjqMNbw
Name Cholesta-5,17(20)-dien-3-ol, acetate, (3.beta.,17Z)-
Alternate Name(s) (17E)-Cholesta-5,17-dien-3-yl acetate
CAS Registry Number 56312-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,23-24,26-27H,7-9,11-18H2,1-6H3/b25-20-
InChIKey VATJYEZLSWNEDZ-QQTULTPQSA-N
Molecular Weight 426.685 g/mol
SMILES CC(C)CCC\C(C)=C\1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
SPLASH splash10-0159-9533000000-fd9a49ecb361cff0d96c
Source of Spectrum SD-1981-0-0
Wiley ID 1380132