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Cholest-22-en-16-ol, acetate, (5.alpha.,16.beta.,22Z)-
SpectraBase Compound ID 6y2iyiUWJGw
InChI InChI=1S/C29H48O2/c1-19(2)10-9-11-20(3)27-26(31-21(4)30)18-25-23-14-13-22-12-7-8-16-28(22,5)24(23)15-17-29(25,27)6/h9,11,19-20,22-27H,7-8,10,12-18H2,1-6H3/b11-9-
InChIKey VMLWPRGLWNJMJN-LUAWRHEFSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18Oe99dKa6Z
Name Cholest-22-en-16-ol, acetate, (5.alpha.,16.beta.,22Z)-
CAS Registry Number 54411-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-19(2)10-9-11-20(3)27-26(31-21(4)30)18-25-23-14-13-22-12-7-8-16-28(22,5)24(23)15-17-29(25,27)6/h9,11,19-20,22-27H,7-8,10,12-18H2,1-6H3/b11-9-
InChIKey VMLWPRGLWNJMJN-LUAWRHEFSA-N
Molecular Weight 428.701 g/mol
SMILES CC(C)C\C=C/C(C)C1C(CC2C3CCC4CCCCC4(C)C3CCC12C)OC(C)=O
SPLASH splash10-0a4i-4594000000-f9e5a6accf50b7480a47
Source of Spectrum SD-1981-0-0
Synonyms (22E)-Cholest-22-en-16-yl acetate
Wiley ID 1380929