(2I+/-,11I+/-)-2,11-Dimethoxy-13-[(2R,3R)-tetrahydro-2-hydroxy-3-methyl-5-oxo-2-furanyl]picrasa-4(18),14-diene-1,16-dione
Basic information
- CAS
98873-59-7- Standard SMILES
C=C1CC(OC)C(=O)C2(C)C1CC1OC(=O)C=C3C1(C)C2C(OC)CC3(C)C1(O)OC(=O)CC1C- InChIKey
PLCVMWZZLJWMIK-UHFFFAOYSA-N- Molecular formula
- C27H36O8
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.2410181
Names & identifiers
- Preferred name
- (2I+/-,11I+/-)-2,11-Dimethoxy-13-[(2R,3R)-tetrahydro-2-hydroxy-3-methyl-5-oxo-2-furanyl]picrasa-4(18),14-diene-1,16-dione
- IUPAC
- 14-(2-hydroxy-3-methyl-5-oxooxolan-2-yl)-4,16-dimethoxy-2,14,17-trimethyl-6-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-12-ene-3,11-dione
Names & synonyms
DTXSID101106490(2I+/-,11I+/-)-2,11-Dimethoxy-13-[(2R,3R)-tetrahydro-2-hydroxy-3-methyl-5-oxo-2-furanyl]picrasa-4(18),14-diene-1,16-dione98873-59-7
Database identifiers
- CAS
98873-59-7- PubChem CID
- 165367221
- DTXSID
DTXSID101106490
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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