2-[(4R,5S,7R,8R,11S,12S,13R,21R)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1⁴,⁸.0¹⁶,²⁰]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
Structure Info
- Chemspace ID
- CSSB03619048563 (In-Stock Building Blocks)
- MFCD
- MFCD06656295
- IUPAC Name
- 2-[(4R,5S,7R,8R,11S,12S,13R,21R)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1⁴,⁸.0¹⁶,²⁰]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
- Mol formula
- C41H32O27
- Mol weight
- 957 Da
- Catalog Number(s)
- 32554, 320644, A723745, ACQFUA270, AKOS032944952, AR00ACG9, BBLS03619048563, BD764583, Y5247519, bbls03619048563
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.02
- Heavy atoms count
- 68
- Rotatable bond count
- 12
- Number of rings
- 7
- Carbon bond saturation, Fsp3
- 0.243
- Polar surface area (Å)
- 447
- Hydrogen bond acceptors count
- 21
- Hydrogen bond donors count
- 13
![Chemical structure of 2-[(4R,5S,7R,8R,11S,12S,13R,21R)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1⁴,⁸.0¹⁶,²⁰]henicosa-1(19),16(20),17-trien-11-yl]acetic acid (C41H32O27) - CSSB03619048563](/st/structure/200/1199724a040eb08500737944cfbd1640/O%255BC%2540%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529O%255BC%2540%2540H%255D3%255BC%2540%2540H%255D%2528COC%2528%253DO%2529c4cc%2528O%2529c%2528O%2529c%2528O%2529c4%2529O%255BC%2540%2540H%255D%2528OC%2528%253DO%2529c4cc%2528O%2529c%2528O%2529c%2528O%2529c4%2529%255BC%2540H%255D%2528OC%2528%253DO%2529c4cc%2528O%2529c%2528O%2529c%2528OC1%253DO%2529c24%2529%255BC%2540%2540H%255D3OC%2528%253DO%2529c1cc%2528O%2529c%2528O%2529c%2528O%2529c1.png "C41H32O27")
- Zoom the structure
- CSSB03619048563
Items Overall 18 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 25 mg | 128.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 50 mg | 214.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 100 mg | 363.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 250 mg | 690.00 | |
Description: Name:2-((3R,3aS,4S,7R,8R,10S,11R,17R)-3,15,16-Trihydroxy-2,5,13-trioxo-10,17-bis((3,4,5-trihydroxybenzoyl)oxy)-8-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl)acetic acid; CAS: 18942-26-2 | ||||||
| AiFChem CN | 10 days | China To: | 98 | 25 mg | 119.00 | |
| AiFChem CN | 10 days | China To: | 98 | 50 mg | 199.00 | |
| AiFChem CN | 10 days | China To: | 98 | 100 mg | 337.00 | |
| AiFChem CN | 10 days | China To: | 98 | 250 mg | 640.00 | |
Description: 2-((3R,3aS,4S,7R,8R,10S,11R,17R)-3,15,16-Trihydroxy-2,5,13-trioxo-10,17-bis((3,4,5-trihydroxybenzoyl)oxy)-8-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl)acetic acid; Hazard statement: H315, H319; CAS: 18942-26-2 | ||||||
| Ambeed CN | 12 days | China To: | 98 | 1 mg | 53.10 | |
| Ambeed CN | 12 days | China To: | 98 | 5 mg | 69.30 | |
| Ambeed CN | 12 days | China To: | 98 | 10 mg | 89.10 | |
| Ambeed CN | 12 days | China To: | 98 | 25 mg | 115.20 | |
| Ambeed CN | 12 days | China To: | 98 | 50 mg | 192.60 | |
| Ambeed CN | 12 days | China To: | 98 | 100 mg | 326.70 | |
| Ambeed CN | 12 days | China To: | 98 | 250 mg | 621.00 | |
Description: Name: Chebulinic acid; CAS: 18942-26-2 | ||||||
| Ambeed, Inc. | 12 days | United States To: | 98 | 1 mg | 53.10 | |
| Ambeed, Inc. | 12 days | United States To: | 98 | 5 mg | 69.30 | |
Description: Name: Chebulinic acid; CAS: 18942-26-2 | ||||||
| BLD Pharmatech (India) Pvt Ltd | 12 days | India To: | 98 | 25 mg | 128.00 | |
Description: Name:2-((3R,3aS,4S,7R,8R,10S,11R,17R)-3,15,16-Trihydroxy-2,5,13-trioxo-10,17-bis((3,4,5-trihydroxybenzoyl)oxy)-8-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl)acetic acid; CAS: 18942-26-2 | ||||||
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