Evonine

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Basic information

CAS: 33458-64-9
Standard SMILES: CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
InChIKey: IMIAGCONYJPMDY-UHFFFAOYSA-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: Evonine
IUPAC: (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

EVONINENSC30149133458-64-9CHEMBL1996226IMIAGCONYJPMDY-UHFFFAOYSA-N8,11-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)-NSC-301491NCI60_0025318,11-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-8,12-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-

Database identifiers

CAS: 33458-64-9
PubChem CID: 327248
ChEMBL: CHEMBL1996226、CHEMBL449845

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 244 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 18
Rotatable bonds: 11
Heavy atoms: 54
Formal charge: 0
Complexity: 1,610

Related reactions

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Compound notes

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