Basic information
- CAS
76014-27-2- Standard SMILES
COc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1C(O2)OC2OC21- InChIKey
LXLRMUXCNYJUJC-UHFFFAOYSA-N- Molecular formula
- C18H12O7
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.05830272
Names & identifiers
- Preferred name
- 16-Hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
- IUPAC
- 16-hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
Names & synonyms
76014-27-2DTXSID609973614-Hydroxy-6-methoxy-8a,9a,10a,10b-tetrahydro-5H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-5-one7-Hydroxy-5-methoxy-1a,2a,11c,11d-tetrahydro-6H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-6-one
Database identifiers
- CAS
76014-27-2- PubChem CID
- 5488380
- DTXSID
DTXSID60997361
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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