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Basic information
- CAS
18942-26-2- Standard SMILES
O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]1[C@@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1- Molecular formula
- C41H32O27
- Average molar mass
- 956.68 g/mol
Names & identifiers
- Preferred name
- Chebulinic acid
- English name
- Chebulinic acid
- Molecular formula
- C41H32O27
- Molecular weight
- 956.68
Names & synonyms
EutanninNSC69862CHEBULINIC ACIDChebulinic acid-RMCHEBULINIC ACID(SH)CHEBULINIC ACID USP/EP/BPChebulinic acid, 10 mM in DMSOChebulinic acid >=85% (LC/MS-ELSD)b-D-Glucopyranose,1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 22:41-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacidβ-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 2→2:4→1-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid
Database identifiers
- CAS
18942-26-2- PubChem CID
- 99937814
- ChEMBL
CHEMBL501154- UNII
- HVC8VQJ6EK
Properties
Physicochemical properties
- Boiling point
- 1460 · 1460.0±65.0 °C(Predicted)
- Density
- 2.04 · 2.04
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in acetone, methanol and hot water; insoluble in chloroform and n-hexane
- form
- powder
- pka
- 4.14 · 4.14±0.10(Predicted)
- color
- Beige
- InChIKey
- YGVHOSGNOYKRIH-KOPSEHRPNA-N
- FDA UNII
- 8 VQJ6EK · HVC8VQJ6EK
- UNSPSC Code
- 85151701 · 85151701
- 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
UsesChebulinic Acid has been shown to prevent epithelial mesenchymal transition in retinal pigment epithelial cells through inhibition of SMAD-3 phosphorylation. This prevents retinal detachment in the process of proliferative vitreoretinopathy.
Suppliers101 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]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [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]
上海毕得医药科技股份有限公司
Related reactions
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Compound notes
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