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Basic information
- CAS
863-39-8- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)O)C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
JIFNDZCDNLFAKC-YAODFNMUSA-N- Molecular formula
- C28H48O5
- Average molar mass
- 464.687 g/mol
- Monoisotopic mass
- 464.35017464
Names & identifiers
- Preferred name
- (3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid
- IUPAC
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane-5-carboxylic acid
- English name
- (3R,5R,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(]
- Molecular formula
- C28H48O5
- Molecular weight
- 464.68
Names & synonyms
Trihydroxycoprostanoic acid3,7,12-trihydroxycoprostanic acidCholestane-5-carboxylic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-(3R,5R,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-17-[(]
Database identifiers
- CAS
863-39-8- PubChem CID
- 122166
- DTXSID
DTXSID801186225- ChEMBL
CHEMBL2074975- ChEBI
CHEBI:89753- UNII
- 8ZJG7M7XQT
Properties
Physicochemical properties
- Boiling point
- 603.5 · 603.5±55.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.70(Predicted)
Chemistry & industry
Suppliers1 total
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Additional notes
DefinitionChEBI: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane-5-carboxylic acid is a 12alpha-hydroxy steroid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a hydroxy monocarboxylic acid and a cholestanoic acid. It has a role as a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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