(+)-beta-Desmotroposantonin methyl ether
Basic information
- CAS
1693-61-4- Standard SMILES
COc1cc(C)c2c(c1C)C1OC(=O)C(C)C1CC2- InChIKey
GNCNKCJJKNUKGL-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- (+)-beta-Desmotroposantonin methyl ether
- IUPAC
- 8-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
Names & synonyms
1693-61-4(+)-beta-Desmotroposantonin methyl ether(+).beta.-Desmotroposantonin methyl etherDTXSID309376188-methoxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one
Database identifiers
- CAS
1693-61-4- PubChem CID
- 137162
- DTXSID
DTXSID30937618
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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