[10,13-Dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Basic information
- CAS
51869-38-6- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C4=CC(=O)C(c5ccc(=O)oc5)C4(C)CCC32)C1- InChIKey
PQBDESILAVCAQJ-UHFFFAOYSA-N- Molecular formula
- C26H32O5
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.22497412
Names & identifiers
- Preferred name
- [10,13-Dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
51869-38-6NSC248529[10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetateDTXSID60311967NSC-2485293-(Acetyloxy)-16-oxobufa-14,20,22-trienolide
Database identifiers
- CAS
51869-38-6- PubChem CID
- 317282
- DTXSID
DTXSID60311967
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 926
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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