5-Methoxydihydrosterigmatocystin
Basic information
- CAS
101489-25-2- Standard SMILES
COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)C1CCOC1O4- InChIKey
RCUCNKLTNYOKIJ-UHFFFAOYSA-N- Molecular formula
- C19H16O7
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.08960285
Overview
5-methoxydihydrosterigmatocystin is a member of sterigmatocystins.
Names & identifiers
- Preferred name
- 5-Methoxydihydrosterigmatocystin
- IUPAC
- 15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one
Names & synonyms
5-MethoxydihydrosterigmatocystinCCRIS 3226101489-25-27H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-6,11-dimethoxy-8-hydroxy-, (3aR-cis)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo(10.8.0.02,9.03,7.014,19)icosa-1,9,11,14,16,18-hexaen-13-oneRefChem:103058DTXSID00906215CHEBI:2268388-Hydroxy-6,11-dimethoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Database identifiers
- CAS
101489-25-2- PubChem CID
- 5488797
- DTXSID
DTXSID00906215- ChEBI
CHEBI:226838
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…