Picrotoxinin, alpha-dihydro-, acetate
Basic information
- CAS
21291-17-8- Standard SMILES
CC(=O)OC12CC3OC34C(=O)OC(C3OC(=O)C1C3C(C)C)C24C- InChIKey
KTUYHVICIONRJN-UHFFFAOYSA-N- Molecular formula
- C17H20O7
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12090297
Names & identifiers
- Preferred name
- Picrotoxinin, alpha-dihydro-, acetate
- IUPAC
- (13-methyl-6,11-dioxo-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-1-yl) acetate
Names & synonyms
alpha-Dihydropicrotoxinin acetatePicrotoxinin, alpha-dihydro-, acetateBRN 009581921291-17-84-19-00-05191 (Beilstein Handbook Reference)RefChem:371670DTXSID509437968b-Methyl-4,8-dioxo-9-(propan-2-yl)hexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulen-2a(6H)-yl acetate
Database identifiers
- CAS
21291-17-8- PubChem CID
- 210562
- DTXSID
DTXSID50943796
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 701
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Compound notes
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