Basic information
- CAS
171438-25-8- Standard SMILES
COc1c2cc(c(OC)c1OC)-c1cc(ccc1O)CC(=O)C(=O)CCCC2- InChIKey
REQMFSCUZSYUIK-UHFFFAOYSA-N- Molecular formula
- C22H24O6
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.15728848
Overview
3-Hydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-8,9-dione has been reported in Myrica gale and Myrica gale var. tomentosa with data available.
Names & identifiers
- Preferred name
- 3-Hydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-8,9-dione
- IUPAC
- 3-hydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-8,9-dione
Names & synonyms
DTXSID401114937171438-25-83-Hydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-8,9-dione3-Hydroxy-15,16,17-trimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-8,9-dione
Database identifiers
- CAS
171438-25-8- PubChem CID
- 10691408
- DTXSID
DTXSID401114937- Nikkaji
- J697.476G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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