Androst-5-ene-3,17-diol, 17-methyl-, 3-propanoate, (3beta,17beta)-
Basic information
- CAS
60883-73-0- Standard SMILES
CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)C1- InChIKey
YAZVIHSCBXWIRW-ZGIWMXSJSA-N- Molecular formula
- C23H36O3
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.26644501
Names & identifiers
- Preferred name
- Androst-5-ene-3,17-diol, 17-methyl-, 3-propanoate, (3beta,17beta)-
- IUPAC
- [(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate
Names & synonyms
60883-73-0Androst-5-ene-3,17-diol, 17-methyl-, 3-propanoate, (3beta,17beta)-RefChem:319549(3beta,17beta)-17-Hydroxy-17-methylandrost-5-ene-3-ol propionateStenosterone-fiale[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoateDTXSID90976361DB-214808NS000554785-Androstene-3beta,17beta-diol, 17-methyl-, 3-propionate17beta-Hydroxy-17alpha-methylandrost-5-en-3beta-yl propanoate(3beta,17beta)-17-Methyl-androst-5-ene-3,17-diol 3-propanoate
Database identifiers
- CAS
60883-73-0- PubChem CID
- 3085209
- DTXSID
DTXSID90976361- UNII
- G2BS5QC8VV
- EC Number
- 262-514-3
- Nikkaji
- J268.351B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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