Ouabanginone
Basic information
- CAS
105404-74-8- Standard SMILES
CC1(C)OC(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)CC(=O)C21- InChIKey
IOUNSQHQRUORKP-UHFFFAOYSA-N- Molecular formula
- C26H34O5
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.24062418
Names & identifiers
- Preferred name
- Ouabanginone
- IUPAC
- 1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione
Names & synonyms
105404-74-8Ouabanginone8-(furan-3-yl)-11-hydroxy-1,1,5a,7a,10b-pentamethyl-5a,5b,6,7,7a,8,9,10a,10b,11,12,12a-dodecahydro-1h-cyclopenta[5,6]naphtho[2,1-c]oxepine-3,10-dioneDTXSID90909518
Database identifiers
- CAS
105404-74-8- PubChem CID
- 184483
- DTXSID
DTXSID90909518
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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