Androstane-3,17-diol, 3,17-dipropanoate, (3alpha,5alpha,17beta)-
Basic information
- CAS
4350-14-5- Standard SMILES
CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]32)C1- InChIKey
FWAYUWSHYLKUEY-LFWYWRBCSA-N- Molecular formula
- C25H40O4
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.29265975
Overview
Androstane-3,17-diol dipropionate is a steroid ester.
Names & identifiers
- Preferred name
- Androstane-3,17-diol, 3,17-dipropanoate, (3alpha,5alpha,17beta)-
- IUPAC
- [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
- English name
- androstane-3,17-diol dipropionate
- Molecular formula
- C25H40O4
- Molecular weight
- 404.58
Names & synonyms
Androstane-3,17-diol dipropionate4350-14-55alpha-Androstane-3alpha,17beta-diol dipropionateNSC-23758S1GK3606085alpha-Androstane-3alpha,17beta-diol, dipropionateRefChem:915833Androstane-3,17-diol, 3,17-dipropanoate, (3alpha,5alpha,17beta)-Androstanediol dipropionateUNII-S1GK360608DTXSID10963016NSC 23758
Show more names
5α.androstanediyl-(3α.17β)-dipropionateAndrostane-3,17-diol, 3,17-dipropanoate, (3α,5α,17β)-
AI3-52811[(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoateCHEBI:345373a,5a-androstanediol dipropionateAndrostane-3,17-diyl dipropanoateNSC237585.alpha.-Androstane-3.alpha., dipropionateQ27116137
Database identifiers
- CAS
4350-14-5
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 466.5 · 466.5±18.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- FDA UNII
- 1 GK360608 · S1GK360608
Chemistry & industry
Additional notes
DefinitionChEBI: Androstane-3,17-diol dipropionate is a steroid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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