Basic information
- CAS
42344-76-3- Standard SMILES
C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1- InChIKey
JUVIOZPCNVVQFO-DQLDELGASA-N- Molecular formula
- C23H22O6
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.14163842
Names & identifiers
- Preferred name
- 5'alpha-Epirotenone
- IUPAC
- (1S,6S,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Names & synonyms
Epirotenone, (-)-42344-76-35'alpha-Epirotenone(-)-EpirotenoneDTXSID70195159(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-,(2S-(2alpha,6abeta,12abeta))-(2S,6aS,12aS)-8,9-Dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
Database identifiers
- CAS
42344-76-3- PubChem CID
- 181732
- DTXSID
DTXSID70195159- Nikkaji
- J612.467D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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