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Basic information
- Standard SMILES
C=C(C)C(=O)OC1CC(C)(O)C2(O)CCC(C)(C=C3OC(=O)C(COC(C)=O)=C31)O2- InChIKey
BZQDHZDSIXPDSS-UHFFFAOYSA-N- Molecular formula
- C21H26O9
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.1576824
Names & identifiers
- Preferred name
- [6-(Acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
- IUPAC
- [6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
Names & synonyms
PIPTOCARPHIN A76248-63-0CID 6436817BDA24863[(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
Database identifiers
- PubChem CID
- 100003
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 885
Related reactions
0 records
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Compound notes
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