Encecanescin
Basic information
- CAS
87592-85-6- Standard SMILES
COc1cc2c(cc1C(C)O[C@H](C)c1cc3c(cc1OC)OC(C)(C)C=C3)C=CC(C)(C)O2- InChIKey
YVOFPTMROPMBQF-QNSVNVJESA-N- Molecular formula
- C28H34O5
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.24062418
Overview
RN given refers to R*,R*(-)-isomer in CA index guide 1989; racemic mixture of both enantiomers; structure given in first source
Names & identifiers
- Preferred name
- Encecanescin
- IUPAC
- 7-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
- English name
- encecanescin
- Molecular formula
- C28H34O5
- Molecular weight
- 450.56656
Names & synonyms
Encecanescin87592-85-67-methoxy-6-[(1R)-1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene7-methoxy-6-((1R)-1-(1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy)ethyl)-2,2-dimethylchromeneRefChem:136754(R*,R*)-(+-)-6,6'-(Oxydiethylidine)bis(7-methoxy-2,2-dimethyl-2H-1-benzopyran)DTXSID9010076742H-1-Benzopyran, 6,6'-(oxodiethylidene)bis(7-methoxy-2,2-dimethyl-, (R*,R*)-(-)-6,6'-[Oxydi(ethane-1,1-diyl)]bis(7-methoxy-2,2-dimethyl-2H-1-benzopyran)7-Methoxy-6-{(1R)-1-[1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethoxy]ethyl}-2,2-dimethyl-2H-1-benzopyran
Database identifiers
- CAS
87592-85-6- PubChem CID
- 5487790
- DTXSID
DTXSID901007674
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…