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Reference substances

Reference substances

IUPAC name:
3,7,12-trioxocholan-24-oic acid

Inventory

EC number:
201-335-7
EC name:
Dehydrocholic acid
CAS number:
81-23-2
CAS number:
81-23-2
Synonyms
Names:
5.beta.-Cholan-24-oic acid, 3,7,12-trioxo-
Cholan-24-oic acid, 3,7,12-trioxo-, (5.beta.)-
Cholan-24-oic acid, 3,7,12-trioxo-, (5ß)-

Molecular and structural information

Molecular formula:
C24H34O5
Molecular weight:
402.524
SMILES notation:
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O
InChl:
InChI=1/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)
Structural formula:
Chemical structure

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