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CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3alpha,5beta,7alpha,12alpha)-

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CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3alpha,5beta,7alpha,12alpha)-
SpectraBase Compound ID BRAPneEV0z7
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
InChIKey BHQCQFFYRZLCQQ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SJFNnwwJgL
Name CHOLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
InChIKey BHQCQFFYRZLCQQ-UHFFFAOYSA-N
Molecular Weight 408.2865
SMILES OC1CCC2(C(CC(O)C3C2CC(C2(C3CCC2C(C)CCC(O)=O)C)O)C1)C
SPLASH splash10-0pbc-9852000000-b5571c50b57583511d59
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany