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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

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

Inventory

EC number:
201-337-8
EC name:
Cholic acid
CAS number:
81-25-4
CAS number:
81-25-4
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?)-
Identifier:
IUPAC name
3,7,12-trihydroxycholan-24-oic acid
Identifier:
other: 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
3,7,12-trihydroxycholan-24-oic acid

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

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