Basic information
- CAS
64595-23-9- Standard SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12- InChIKey
ZUQBKMLRGSFJPR-KYIIUUHJSA-N- Molecular formula
- C27H40O8
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- Androstane-3,7,12,17-tetrol, tetraacetate, (3alpha,5beta,7alpha,12alpha,17beta)-
- IUPAC
- [(3R,5S,7R,8R,9S,10S,12S,13S,14S,17S)-7,12,17-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- 5β-Androstane-3α,7α,12α,17β-tetrol tetraacetate
- Molecular formula
- C27H40O8
- Molecular weight
- 492.6
Names & synonyms
ZUQBKMLRGSFJPR-KYIIUUHJSA-NAndrostane-3,7,12,17-tetrol, tetraacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)-3,12,17-Tris(acetyloxy)androstan-7-yl acetate #5β-Androstane-3α,7α,12α,17β-tetrol tetraacetateAndrostane-3,7,12,17-tetrol, tetraacetate, (3α,5β,7α,12α,17β)- (9CI)
Database identifiers
- CAS
64595-23-9- Nikkaji
- J132.189G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 884
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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