Basic information
- CAS
41451-70-1- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(=O)C1COC(=O)C1C2)OCO3- InChIKey
KHXMONVQVIGKEN-UHFFFAOYSA-N- Molecular formula
- C22H20O8
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.11581759
Overview
Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodioxole-3,14-dione, 1,3a,4,14a-tetrahydro-6,7,8-trimethoxy-, stereoisomer has been reported in Steganotaenia araliacea with data available.
Names & identifiers
- Preferred name
- Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodioxole-3,14-dione, 1,3a,4,14a-tetrahydro-6,7,8-trimethoxy-, stereoisomer
- IUPAC
- 3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaene-10,14-dione
Names & synonyms
41451-70-1Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodioxole-3,14-dione, 1,3a,4,14a-tetrahydro-6,7,8-trimethoxy-, stereoisomerDTXSID309616953,4,5-Trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaene-10,14-dione6,7,8-Trimethoxy-1,3a,4,14a-tetrahydro-11H-benzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxole-3,14-dione
Database identifiers
- CAS
41451-70-1- PubChem CID
- 5283
- DTXSID
DTXSID30961695
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 682
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…