Basic information
- CAS
33458-82-1- Standard SMILES
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(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
PBFGAFDJVQAMRS-KCYQGYFWSA-N- Molecular formula
- C38H47NO18
- Average molar mass
- 805.8 g/mol
- Monoisotopic mass
- 805.27931365
Overview
CID 477607 has been reported in Tripterygium wilfordii and Peritassa campestris with data available.
Names & identifiers
- Preferred name
- CID 477607
- IUPAC
- [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R)-18,19,21,22,24-pentaacetyloxy-25-hydroxy-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
- Evonine
- Molecular formula
- C38H47NO18
- Molecular weight
- 805.78
Names & synonyms
Euonymine33458-82-1[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R)-18,19,21,22,24-Pentaacetyloxy-25-hydroxy-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 acetate8,11-Epoxy-9,12-ethano-11,15-methano-11H-(1,8)dioxacycloheptadecino(4,3-b)pyridine-5,17-dione, 10,13,14,21,22-pentakis(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,22R)-8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17-dione, 10,13,14,21,22-pentakis(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,22R)-DTXSID601019965DA-63335(pentaacetoxy-hydroxy-tetramethyl-dioxo-[?]yl)methyl acetate(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R)-20-[(Acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-18,19,21,22,24-pentayl pentaacetate
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 13
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,680
Physicochemical properties
- Boiling point
- 799.6 · 799.6±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 11.75 · 11.75±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- CAS DataBase Reference
- 33458 · 33458-82-1
Chemistry & industry
Applications
UsesEuonymine (Euonymin) is a sesquiterpene pyridine alkaloid isolated from the leaves of Maytenus chiapensis.
Suppliers58 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司
Related reactions
0 records
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Compound notes
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