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Back ChemicalBook Home>CAS DataBase List>81-25-4More Spectrum> Cholic acid(81-25-4) IR1

81-25-4

Cholic acid(81-25-4) IR1

Product NameCholic acid

CAS81-25-4

Molecular FormulaC24H40O5

Molecular Weight408.57

InChIInChI=1/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-/s3

InChIKey BHQCQFFYRZLCQQ-OIIVMKOQNA-N

SmilesO[C@@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C |&1:1,3,6,10,12,15,17,18,20,29,31,r|

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