Structure via PubChem · Public domain (PubChem)
calcitroic acid
Sign in to saveAlso known as 1α-hydroxy-23-carboxy-24,25,26,27-tetranorvitamin D3
chemical compound
Chemical data
- Formula
- C23H34O4
- Molecular weight
- 374.5 g/mol
- IUPAC name
- (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
- SMILES
- C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
- InChIKey
- MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
- XLogP
- 3.4
- Polar surface area
- 77.8 Ų
- H-bond donors
- 3
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 374.24571
Show 5 more facts
- chemical formula
- C₂₃H₃₄O₄
- isomeric SMILES
- C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
- canonical SMILES
- CC(CC(=O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
- found in taxon
- Homo sapiens
- subject has role
- primary metabolite
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