5,6-Dimethoxydihydrosterigmatocystin
Basic information
- CAS
74494-65-8- Standard SMILES
COc1cc(O)c2c(=O)c3c(OC)cc4c(c3oc2c1OC)C1CCOC1O4- InChIKey
UXANCUHUYCACQV-UHFFFAOYSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10016753
Overview
5,6-Dimethoxydihydrosterigmatocystin has been reported in Aspergillus multicolor with data available.
Names & identifiers
- Preferred name
- 5,6-Dimethoxydihydrosterigmatocystin
- IUPAC
- 15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14(19),15,17-hexaen-13-one
Names & synonyms
5,6-DimethoxydihydrosterigmatocystinCCRIS 3228G6TXX2R2UYBRN 163190274494-65-87H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-8-hydroxy-6,10,11-trimethoxy-, (3aR-cis)-15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo(10.8.0.02,9.03,7.014,19)icosa-1,9,11,14(19),15,17-hexaen-13-one15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14(19),15,17-hexaen-13-one7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 1,2,3a,12c-tetrahydro-8-hydroxy-6,10,11-trimethoxy-, (3aR-cis)-RefChem:101196UNII-G6TXX2R2UYDTXSID10995993
Show more names
8-Hydroxy-6,10,11-trimethoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Database identifiers
- CAS
74494-65-8- PubChem CID
- 5488181
- DTXSID
DTXSID10995993- UNII
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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