Isodrimartol A
Basic information
- CAS
87700-15-0- Standard SMILES
COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C- InChIKey
KGVZBKUYBZGQCZ-CQBMSCNUSA-N- Molecular formula
- C26H34O6
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.2355388
Names & identifiers
- Preferred name
- Isodrimartol A
- IUPAC
- 7-[[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
Names & synonyms
Isodrimartol A87700-15-0DTXSID102365752H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((1R,4aS,6S,8aR)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-7-[[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one7-(((1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy)-6,8-dimethoxychromen-2-oneRefChem:149295DTXCID401590667-{[(1R,4aS,6S,8aR)-6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-6,8-dimethoxy-2H-1-benzopyran-2-one
Database identifiers
- CAS
87700-15-0- PubChem CID
- 159138
- DTXSID
DTXSID10236575
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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