Basic information
- CAS
22318-10-1- Standard SMILES
CC1(C)O[C@H]2CC(=O)OC[C@@]23C1=C(O)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321- InChIKey
SNGHLUWTFLYPMT-JPRNBFAHSA-N- Molecular formula
- C26H28O9
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.17333247
Overview
evodol has been reported in Tetradium ruticarpum, Fagaropsis glabra, and other organisms with data available.
Names & identifiers
- Preferred name
- Evodol
- IUPAC
- (1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
- English name
- Evodol
- Molecular formula
- C26H28O9
- Molecular weight
- 484.5
Names & synonyms
Evodol22318-10-1(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trioneDTXSID60904237(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo(11.9.0.02,7.02,10.014,16.014,20)docos-10-ene-5,12,17-trioneRefChem:1085277DTXCID301333386Glaucin CLIMONIN DIOSPHENOLNSC 314322(4aS,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-7-hydroxy-6,6,8a,12a-tetramethyl-4,4a,9a,12,12a,13,14,14a-octahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trionelimonin disophenol
Show more names
Evodol >=95% (LC/MS-ELSD)(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate(4bR,10bR)-2,4,4a,5aβ,6,8,8a,9,10,10aβ,14,14aβ-Dodecahydro-2,2,4aα,8aβ-tetramethyl-8β-(3-furanyl)-3-hydroxy-13H-oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13-trione
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- Boiling point
- 736.2 · 736.2±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- Melting point
- 281 °C · 281 °C
- pka
- 8.59 · 8.59±0.70(Predicted)
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChIKey
- SNGHLUWTFLYPMT-FBIYPHEJSA-N
- SMILES
- CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@]5(C)C(OC(=O)[C@H]6O[C@@]56[C@]4(C)C(=O)C(O)=C13)c7ccoc7
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesEvodol is a liminoid constituent of Euodia rutaecarpa var. bodinieri and is an inhibitor of NO production in lipopolysaccharide-activated RAW264.7 machrophages.
Upstream & downstream products
Upstream raw materials
Suppliers47 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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