Senecioyloxychaparrinone triacetate
Basic information
- CAS
69343-50-6- Standard SMILES
CC(=O)OCC12C3CC(=O)OC1C(OC(=O)C=C(C)C)C1C(C)=CC(=O)C(OC(C)=O)C1(C)C2C(=O)C(OC(C)=O)C3C- InChIKey
DWEYLBMYZYWWKZ-UHFFFAOYSA-N- Molecular formula
- C31H38O12
- Average molar mass
- 602.6 g/mol
- Monoisotopic mass
- 602.23632664
Names & identifiers
- Preferred name
- Senecioyloxychaparrinone triacetate
- IUPAC
- [3,15-diacetyloxy-17-(acetyloxymethyl)-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-8-yl] 3-methylbut-2-enoate
Names & synonyms
NSC29515269343-50-6SENECIOYLOXYCHAPARRINONE TRIACETATEDTXSID20315527NSC-2951526-.alpha.-Senecioyloxychaparrinone-1,12-20-triacetate1,12,20-Tris(acetyloxy)-2,11,16-trioxopicras-3-en-6-yl 3-methylbut-2-enoate
Database identifiers
- CAS
69343-50-6- PubChem CID
- 325792
- DTXSID
DTXSID20315527
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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