Chenodeoxycholic acid
CAS number: 474-25-9
Synonyms:
Anthropodesoxycholic acid, Chenic acid, Anthropododesoxycholic acid, 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α
Identifiers
CAS Index Name:
Cholan-24-oic acid, 3,7-dihydroxy-, (3α,5β,7α)-
Molecular formula:
C24H40O4
Molecular weight:
392.57
Smiles:
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric Smiles:
CC12C(C3(C(C4(C)C(CC3O)(CC(O)CC4)[H])(CC1)[H])[H])(CCC2(C(CCC(O)=O)C)[H])[H]
InChI:
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey:
InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-N
Product information
Purity:
>98%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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| 65-1005-13 | Chenodeoxycholic acid - 1 g | 212.00 € | ||
| 65-1005-9 | Chenodeoxycholic acid - 100 mg | 79.00 € |
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