platenolide II
Basic information
- CAS
52212-95-0- Standard SMILES
CCC1CC(C)C(O)/C=C\C=C\CC(C)OC(=O)CC(O)C(OC)C1O- InChIKey
XXZCIGRXZDOUGK-IGWAVSOUSA-N- Molecular formula
- C20H34O6
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.2355388
Overview
(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one has been reported in Streptomyces ambofaciens with data available.
Names & identifiers
- Preferred name
- platenolide II
- IUPAC
- (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
- English name
- platenolide II
- Molecular formula
- C20H34O6
- Molecular weight
- 370.48
Names & synonyms
Platenolide II52212-95-0Oxacyclohexadeca-11,13-dien-2-one, 7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-RefChem:929409(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-oneOxacyclohexadeca-11,13-dien-2-one, 7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-, (4R,5S,6S,7S,9R,10R,11E,13E,16R)-
Database identifiers
- CAS
52212-95-0- PubChem CID
- 6443786
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 565.3 · 565.3±50.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 13.54 · 13.54±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…