Tingtanoxide
Basic information
- CAS
86702-28-5- Standard SMILES
CC(=O)OC1C(OC(=O)c2ccccc2)C=CC2OC21COC(=O)c1ccccc1- InChIKey
KKUDXVSPSDPLGM-UHFFFAOYSA-N- Molecular formula
- C23H20O7
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.12090297
Overview
NSC367116 has been reported in Uvaria ferruginea with data available.
Names & identifiers
- Preferred name
- Tingtanoxide
- IUPAC
- (2-acetyloxy-3-benzoyloxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl)methyl benzoate
Names & synonyms
NSC36711686702-28-5TINGTANOXIDEDTXSID40331103NSC-3671162-(Acetyloxy)-1-[(benzoyloxy)methyl]-7-oxabicyclo[4.1.0]hept-4-en-3-yl benzoate
Database identifiers
- CAS
86702-28-5- PubChem CID
- 435292
- DTXSID
DTXSID40331103
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 690
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Related reactions
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Compound notes
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