Basic information
- CAS
33510-25-7- Standard SMILES
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](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
NKTOESKXBIEREY-RRFKVAGVSA-N- Molecular formula
- C36H45NO17
- Average molar mass
- 763.7 g/mol
- Monoisotopic mass
- 763.26874897
Overview
Neoeuonymine has been reported in Tripterygium wilfordii with data available.
Names & identifiers
- Preferred name
- Neoeuonymine
- IUPAC
- [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,24R)-18,19,21,22-tetraacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-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
- English name
- neoeuonymine
- Molecular formula
- C36H45NO17
- Molecular weight
- 763.739
Names & synonyms
Neoeuonymine33510-25-78,11-Epoxy-9,12-ethano-11,15-methano-11H-(1,8)dioxacycloheptadecino(4,3-b)pyridine-5,17-dione, 13,14,21,22-tetrakis(acetyloxy)-12-((acetyloxy)methyl)-7,8,9,10,12,13,14,15,18,19-decahydro-10,20-dihydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S,22R)-8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17-dione, 13,14,21,22-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-10,20-dihydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S,22R)-[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,24R)-18,19,21,22-tetraacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-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
Database identifiers
- CAS
33510-25-7- PubChem CID
- 477608
- ChEMBL
CHEMBL499170
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,570
Physicochemical properties
- Melting point
- 2 S9-262°C · 2S9-262°C
- InChIKey
- NKTOESKXBIEREY-RRFKVAGVSA-N
Chemistry & industry
Applications
DescriptionA macrocyclic alkaloid occurring in Euonymus sieboldiana Blume, the base yields colourless crystals from MeOH. It is laevorotatory with [α]D - 11° (c 0.49, CHCI3). The ultraviolet spectrum has two absorption maxima at 228 and 266 mJi. Four acetoxy groups and one acetoxymethyl group are present together with one secondary and one tertiary hydroxyl group. The structure has been elucidated from spectroscopic investigations, particularly the NMR and mass spectra.
UsesNeoeuonymine is an alkaloid that can be isolated from Euonymus sieboldiana[1].
Suppliers11 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Mensura Group Limited18780014153 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
四川恒诚致远生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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