Basic information
- CAS
120476-24-6- Standard SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@H]1C3O[C@H]3O[C@@H]1O2- InChIKey
LINLJHREPZSLCI-NINDDNLESA-N- Molecular formula
- C17H12O8
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.05321734
Names & identifiers
- Preferred name
- 5-Methoxy-3,4,7a,8a,9a,9b-hexahydro-1H,11H-oxireno[4',5']furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,11-dione
- IUPAC
- (3R,6S,8S)-12-methoxy-5,7,9,17,21-pentaoxahexacyclo[11.8.0.02,10.03,8.04,6.014,19]henicosa-1,10,12,14(19)-tetraene-18,20-dione
- English name
- aflatoxin G1 9,10-epoxide
- Molecular formula
- C17H12O8
- Molecular weight
- 344.27
Names & synonyms
5-Methoxy-3,4,7a,8a,9a,9b-hexahydro-1H,11H-oxireno[4',5']furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,11-dioneDTXSID50923432(3R,6S,8S)-12-Methoxy-5,7,9,17,21-pentaoxahexacyclo[11.8.0.02,10.03,8.04,6.014,19]henicosa-1,10,12,14(19)-tetraene-18,20-dione(7aS,8aS,9bR)-5-Methoxy-3,4,7a,8a,9a,9b-hexahydro-1H,11H-oxireno[4',5']furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,11-dioneAFLATOXING19,10-OXIDEaflatoxin G1 9,10-epoxide1H,11H-Oxireno[4',5']furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,11-dione, 3,4,7a,8a,9a,9b-hexahydro-5-methoxy-, [7aS-(7aα,8aβ,9aβ,9bα)]- (9CI)
Database identifiers
- CAS
120476-24-6- PubChem CID
- 147494
- DTXSID
DTXSID50923432
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Boiling point
- 636.223 · 636.223±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.714 · 1.714±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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