Basic information
- CAS
5490-61-9- Standard SMILES
COC1=CC2=CCC3C(CCC4(C)C3CCC4(C)OC(C)=O)C2(C)CC1- InChIKey
OTKXVHPLBZXHOI-UHFFFAOYSA-N- Molecular formula
- C23H34O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.25079494
Names & identifiers
- Preferred name
- 3-Methoxy-17-methylandrosta-3,5-dien-17-yl acetate
- IUPAC
- (3-methoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Names & synonyms
5490-61-93-methoxy-17-methylandrosta-3,5-dien-17-yl acetateNSC124745DTXSID80970232NSC-124745
Database identifiers
- CAS
5490-61-9- PubChem CID
- 276604
- DTXSID
DTXSID80970232
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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