2-[(4R,5S,7R,11R,12S,13R,21S)-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
- CSSB06623406420 (In-Stock Building Blocks)
- MFCD
- MFCD06656295
- IUPAC Name
- 2-[(4R,5S,7R,11R,12S,13R,21S)-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)
- AA00ABOH, AE81597, AG00ABR9, AR00ACG9, C291895, EC00ADX1, ST00AD81, TX00ACWX, Y1054937
- 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,11R,12S,13R,21S)-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) - CSSB06623406420](/st/structure/200/d026104a42db3e54aaea99ed04498bed/O%255BC%2540%2540H%255D1%255BC%2540H%255D2%255BC%2540%2540H%255D%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529OC3%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%2540H%255D3OC%2528%253DO%2529c1cc%2528O%2529c%2528O%2529c%2528O%2529c1.png "C41H32O27")
- Zoom the structure
- CSSB06623406420
Items Overall 30 items from 8 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 3 days | China To: | 98 | 1 mg | 48.40 | |
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; CAS: 18942-26-2 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 98 | 1 mg | 48.40 | |
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; CAS: 18942-26-2 | ||||||
| Angene International Limited | 10 days | China To: | 98 | 25 mg | 73.80 | |
| Angene International Limited | 10 days | China To: | 98 | 50 mg | 124.20 | |
| Angene International Limited | 10 days | China To: | 98 | 100 mg | 208.80 | |
| Angene International Limited | 10 days | China To: | 98 | 250 mg | 395.10 | |
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; CAS: 18942-26-2 | ||||||
| AA BLOCKS | 12 days | United States To: | 98 | 1 mg | 57.20 | |
| AA BLOCKS | 12 days | United States To: | 98 | 5 mg | 74.80 | |
| AA BLOCKS | 12 days | United States To: | 98 | 50 mg | 672.10 | |
| AA BLOCKS | 12 days | United States To: | 98 | 100 mg | 930.60 | |
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; CAS: 18942-26-2 | ||||||
| A2B Chem | 12 days | United States To: | 99 | 1 mg | 63.25 | |
| A2B Chem | 12 days | United States To: | 99 | 5 mg | 154.10 | |
| A2B Chem | 12 days | United States To: | 99 | 10 mg | 223.10 | |
| A2B Chem | 12 days | United States To: | 99 | 25 mg | 448.50 | |
| A2B Chem | 12 days | United States To: | 99 | 50 mg | 652.05 | |
| A2B Chem | 12 days | United States To: | 99 | 100 mg | 911.95 | |
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; CAS: 18942-26-2 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 25 mg | 104.65 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 50 mg | 178.25 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 100 mg | 301.30 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 250 mg | 571.55 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 25 mg | 103.40 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 50 mg | 173.80 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 100 mg | 293.70 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 250 mg | 553.30 | |
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; CAS: 18942-26-2 | ||||||
| 10X CHEM | TBD | United States To: | 98 | 1 mg | 48.40 | |
| 10X CHEM | TBD | United States To: | 98 | 5 mg | 123.20 | |
| 10X CHEM | TBD | United States To: | 98 | 10 mg | 178.20 | |
| 10X CHEM | TBD | United States To: | 98 | 25 mg | 357.50 | |
| 10X CHEM | TBD | United States To: | 98 | 50 mg | 519.20 | |
| 10X CHEM | TBD | United States To: | 98 | 100 mg | 726.00 | |
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; CAS: 18942-26-2 | ||||||
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Similarity Analogs
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