SpectraBase Compound ID | HPYHBX1QDqU |
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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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
InChIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
Mol Weight | 408.6 g/mol |
Molecular Formula | C24H40O5 |
Exact Mass | 408.287574 g/mol |
SpectraBase Spectrum ID | 90ufcKFYcyP |
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Name | Cholic acid |
Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
InChIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
Melting Point | 195C |
Molecular Weight | 408.579010 |
Synonyms | 5B-CHOLANIC ACID, 3A,7A,12A-TRI- HYDROXY-, CHOLIC ACID |
Technique | KBr WAFER |