Basic information
- CAS
38859-47-1- Standard SMILES
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ZOENOTDRHSJUPM-UMWWKMARSA-N- Molecular formula
- C22H34O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.25079494
Names & identifiers
- Preferred name
- 5-Androstene-3,17-diol-17-propionate
- IUPAC
- [(3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Names & synonyms
NIOSH/BV811150038859-47-1BV81115000delta(sup 5)-Androstene-3-beta-ol 17-beta-propionateAndrost-5-ene-3-beta,17-beta-diol, 17-propionate (ester)5-Androstene-3,17-diol-17-propionateNSC73110DTXSID90959639NSC-731103-Hydroxyandrost-5-en-17-yl propanoate3beta-Hydroxyandrost-5-en-17beta-yl propanoateAndrost-5-ene-3, 17-propanoate, (3.beta.,17.beta.)-
Database identifiers
- CAS
38859-47-1- PubChem CID
- 252017
- DTXSID
DTXSID90959639- Nikkaji
- J58.243C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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