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Reference substances

Reference substances

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General information

Inventory

EC number:
201-337-8
EC name:
Cholic acid
CAS number:
81-25-4

No inventory information available

Reference substance information

IUPAC name:
3,7,12-trihydroxycholan-24-oic acid
Synonyms
Names:
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3?,5ß,7?,12?)-

CAS information

CAS number:
81-25-4

Molecular and structural information

Molecular formula:
C24H40O5
Molecular weight:
408.571
SMILES notation:
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChl:
InChI=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)
Structural formula:
Chemical structure