Basic information
- CAS
1986-53-4- Standard SMILES
CCC(=O)O[C@@H]1C=C2CCC3C(CCC4(C)C3CC[C@@H]4OC(=O)CC)C2CC1- InChIKey
JFAXVZXNIGIDDA-OMBIEOGOSA-N- Molecular formula
- C24H36O4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.26135963
Names & identifiers
- Preferred name
- [(3S,17S)-13-methyl-17-propanoyloxy-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] propanoate
- IUPAC
- [(3S,17S)-13-methyl-17-propanoyloxy-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] propanoate
- English name
- Bolandiol
- Molecular formula
- C24H36O4
- Molecular weight
- 388.54
Names & synonyms
[(3S,17S)-13-methyl-17-propanoyloxy-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] propanoateCHEMBL3559795Tox21_113721NCGC00253579-01CAS-1986-53-43alpha,17alpha-Estr-4-ene-3,17-diyl dipropanoateSC-7525anabiolStorinal3β,17β-Bis(propionyloxy)estr-4-eneEstr-4-ene-3β,17β-diol dipropionateEstr-4-ene-3,17-diol, 3,17-dipropanoate, (3β,17β)-
Database identifiers
- CAS
1986-53-4- PubChem CID
- 16141
- DTXSID
DTXSID0057677- ChEMBL
CHEMBL3559795
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Boiling point
- 472.1 · 472.1±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- FDA UNII
- 595 CNE7RHB · 595CNE7RHB
Chemistry & industry
Applications
UsesAnabolic.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Bolandiol dipropionate is a steroid ester resulting from the formal condensation of the carboxy group of propanoic acid with the 3beta and 17beta hydroxy groups of bolandiol. It is a diester, an anabolic androgenic steroid and a steroid ester. It is functionally related to a bolandiol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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