Basic information
- CAS
55332-79-1- Standard SMILES
CC(=O)OC1C=CC2OC2(COC(=O)c2ccccc2)C1OC(C)=O- InChIKey
WJYFLYDUGXWVMP-UHFFFAOYSA-N- Molecular formula
- C18H18O7
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.10525291
Overview
d,l-Senepoxyde has been reported in Uvaria ferruginea with data available.
Names & identifiers
- Preferred name
- d,l-Senepoxyde
- IUPAC
- (2,3-diacetyloxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl)methyl benzoate
Names & synonyms
d,l-Senepoxyde55332-79-1.beta.-SenepoxideNSC310617SENEPOXIDE, BETASENEPOXYDE,1-DTXSID30970681NSC367148NSC-310617NSC-36714886747-02-6[2,3-Bis(acetyloxy)-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
Database identifiers
- CAS
55332-79-1、86747-02-6- PubChem CID
- 329239
- DTXSID
DTXSID30970681
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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