Basic information
- CAS
23330-38-3- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(c4cccc(=O)o4)CCC32)C1- InChIKey
NJSXEKDLWSSOHT-UHFFFAOYSA-N- Molecular formula
- C26H36O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.26135963
Names & identifiers
- Preferred name
- 17-(2-Oxo-2h-pyran-6-yl)androstan-3-yl acetate
- IUPAC
- [10,13-dimethyl-17-(6-oxopyran-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
23330-42-923330-38-317-(2-oxo-2h-pyran-6-yl)androstan-3-yl acetateNSC113096DTXSID10945998NSC114794NSC-113096NSC-114794
Database identifiers
- CAS
23330-38-3、23330-42-9- PubChem CID
- 270602
- DTXSID
DTXSID10945998
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 797
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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