Basic information
- CAS
110025-80-4- Standard SMILES
CC(=O)OC[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](OC(C)=O)C[C@@H]2[C@H](C)CCCC(C)C)[C@@H](OC(C)=O)C=C1C[C@H](O)CC[C@@]13C- InChIKey
WZQINYCEPJKVHP-HOHADPCXSA-N- Molecular formula
- C33H52O7
- Average molar mass
- 560.8 g/mol
- Monoisotopic mass
- 560.37130399
Names & identifiers
- Preferred name
- Cholest-5-ene-3alpha,7beta,15beta,18-tetrol-7,15,18-triacetate
- IUPAC
- [(3R,7R,8R,9S,10R,13S,14S,15R,17R)-7,15-diacetyloxy-3-hydroxy-10-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate
Names & synonyms
Cholest-5-ene-3alpha,7beta,15beta,18-tetrol-7,15,18-triacetate110025-80-4Cholest-5-ene-3,7,15,18-tetrol, 7,15,18-triacetate, (3alpha,7beta,15beta)-
Database identifiers
- CAS
110025-80-4- PubChem CID
- 184151
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 987
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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