Basic information
- CAS
55700-54-4- Standard SMILES
C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
JTJWFLUAWMFCRO-XLTWPSKOSA-N- Molecular formula
- C27H44O3
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.32904527
Names & identifiers
- Preferred name
- Cholesta-5,7-diene-3,24,25-triol, (3beta,24R)-
- IUPAC
- (3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
Names & synonyms
55700-54-4RefChem:333951Cholesta-5,7-diene-3,24,25-triol, (3beta,24R)-(24R)-5,7-cholestadiene-3beta,24,25-triol(24R)-Cholesta-5,7-diene-3beta,24,25-triolSCHEMBL11168432JTJWFLUAWMFCRO-XLTWPSKOSA-NDTXSID001261954Cholesta-5,7-diene-3,24,25-triol, (3I(2),24R)-
Database identifiers
- CAS
55700-54-4- PubChem CID
- 12945175
- DTXSID
DTXSID001261954- Nikkaji
- J283.446D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 722
Related reactions
1 records
Compound notes
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