Basic information
- CAS
87376-88-3- Standard SMILES
C=C1C(=O)OC2/C=C(\C=O)C3OC3C3OC3(C)CC(OC(=O)/C(=C/C)CO)C12- InChIKey
DQEWTAGBSOHJQY-ZVSIBQGLSA-N- Molecular formula
- C20H22O8
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.13146766
Names & identifiers
- Preferred name
- [(10Z)-10-formyl-4-methyl-15-methylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadec-10-en-2-yl] (E)-2-(hydroxymethyl)but-2-enoate
- IUPAC
- [(10Z)-10-formyl-4-methyl-15-methylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadec-10-en-2-yl] (E)-2-(hydroxymethyl)but-2-enoate
Names & synonyms
NSC35407087376-88-3NSC-354070
Database identifiers
- CAS
87376-88-3- PubChem CID
- 5477759
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 811
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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