[(7Z,9Z)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (E)-4-acetyloxy-2-methylbut-2-enoate
Basic information
- CAS
87376-86-1- Standard SMILES
C=C1C(=O)OC2/C=C(CO)/C=C\C3OC3(C)CC(OC(=O)/C(C)=C/COC(C)=O)C12- InChIKey
FHAOJCKOQIDTRQ-WDJNLLAESA-N- Molecular formula
- C22H26O8
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.16276778
Names & identifiers
- Preferred name
- [(7Z,9Z)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (E)-4-acetyloxy-2-methylbut-2-enoate
- IUPAC
- [(7Z,9Z)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (E)-4-acetyloxy-2-methylbut-2-enoate
Names & synonyms
NSC354049CHEMBL1984068NSC-354049
Database identifiers
- CAS
87376-86-1- PubChem CID
- 5477755
- ChEMBL
CHEMBL1984068
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 851
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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