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Basic information
- CAS
21018-84-8- Standard SMILES
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@H]21- InChIKey
DBOVHQOUSDWAPQ-WTONXPSSSA-N- Molecular formula
- C29H30O13
- Average molar mass
- 586.546 g/mol
- Monoisotopic mass
- 586.16864102
Names & identifiers
- Preferred name
- Amarogentin
- English name
- AMAROGENTIN
- Molecular formula
- C29H30O13
- Molecular weight
- 586.54
Names & synonyms
AMAROGENTINAmarogentin-RMAmarogentin HydrateAMAROGENTIN (Standard)Amarogentin from Gentia luteaAmarogentin, 98%, from Gentiana scabra Bunge(4aS)-6α-[2-O-[(3,3',5-Trihydroxy-1,1'-biphenyl-2-yl)carbonyl]-β-D-glucopyranosyloxy]-5β-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-[[2-O-[(3,3',5-trihydroxy[1,1'-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-, (4aS,5R,6S)-(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(((3S,4R,4aS)-8-oxo-4-vinyl-3,4,4a,5,6,8-hexahydropyrano[3,4-c]pyran-3-yl)oxy)tetrahydro-2H-pyran-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate
Database identifiers
- CAS
21018-84-8- PubChem CID
- 115149
- DTXSID
DTXSID501029787- ChEMBL
CHEMBL1095010- ChEBI
CHEBI:2622- UNII
- 5L82GT5I0W
- EC Number
- 639-021-0
- Nikkaji
- J16.196I
Properties
Physicochemical properties
- Melting point
- 229 · 229-230° (monohydrate)
- alpha
- 20 · D20 -116.6° (methanol)
- Boiling point
- 928.5 · 928.5±65.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 1 mg/ml; · DMF: 1 mg/ml; DMSO: 2 mg/ml; PBS (pH 7.2): 0.1 mg/ml
- form
- A crystalline solid
- pka
- 7.42 · 7.42±0.40(Predicted)
- color
- White to off-white
- Major Application
- food and beverages
- InChIKey
- FWSMZQZCMSGCCU-WKYWRJDANA-N
- SMILES
- [C@@]12([H])CCOC(=O)C1=CO[C@@H](OC[C@@H]1[C@@H](O)[C@@H]([C@@H](O)[C@H](OC(=O)C3=CC(=C(C4C=CC=C(O)C=4)C(O)=C3)O)O1)O)[C@@H]2C=C |&1:0,10,13,14,16,17,19,40,r|
- LogP
- 2.503 · 2.503 (est)
- FDA UNII
- 5 L82GT5I0W · 5L82GT5I0W
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 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
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAmarogentin has the functions of protecting liver and gallbladder, inhibiting bacteria and diuretic.
Suppliers100 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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