8,11-Epoxy-9,12-ethano-11,15-methano-11H-(1,8)dioxacycloheptadecino(4,3-b)pyridine-5,17,22-trione, 10,13,14,21-tetrakis(acetyloxy)-12-((acetyloxy)methyl)-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S)-
Basic information
- CAS
33458-64-9- Standard SMILES
CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)C4(C)O- InChIKey
IMIAGCONYJPMDY-DWKOBOQJSA-N- Molecular formula
- C36H43NO17
- Average molar mass
- 761.7 g/mol
- Monoisotopic mass
- 761.2530989
Overview
evonine has been reported in Tripterygium wilfordii, Tripterygium hypoglaucum, and Euonymus nanus with data available.
Names & identifiers
- Preferred name
- 8,11-Epoxy-9,12-ethano-11,15-methano-11H-(1,8)dioxacycloheptadecino(4,3-b)pyridine-5,17,22-trione, 10,13,14,21-tetrakis(acetyloxy)-12-((acetyloxy)methyl)-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S)-
- IUPAC
- [(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R)-18,19,21,24-tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
Names & synonyms
EVONINENSC 30149133458-64-98,11-Epoxy-9,12-ethano-11,15-methano-11H-(1,8)dioxacycloheptadecino(4,3-b)pyridine-5,17,22-trione, 10,13,14,21-tetrakis(acetyloxy)-12-((acetyloxy)methyl)-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S)-
Database identifiers
- CAS
33458-64-9- PubChem CID
- 477609
- ChEMBL
CHEMBL449845
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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