2-[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
- CSSB02495362941 (In-Stock Building Blocks)
- MFCD
- MFCD06656295
- IUPAC Name
- 2-[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)
- 320644, AA00ABOH, AE81597, AG00ABR9, AKOS040899074, AM81597, AOS00ABR9, AR00ACG9, AS-79626, BUP12585, EBC-615645, M22792, TQ0184, 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-[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) - CSSB02495362941](/st/structure/200/86127450ff6279a02f03ad20872d47d6/OC1C2C%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529OC3C%2528COC%2528%253DO%2529C4%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC4%2529OC%2528OC%2528%253DO%2529C4%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC4%2529C%2528OC%2528%253DO%2529C4%253DCC%2528O%2529%253DC%2528O%2529C%2528OC1%253DO%2529%253DC24%2529C3OC%2528%253DO%2529C1%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC1.png "C41H32O27")
- Zoom the structure
- CSSB02495362941
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Molnova Chemicals | 10 days | United States To: | 98 | 5 mg | 163.02 | |
| Molnova Chemicals | 10 days | United States To: | 98 | 10 mg | 236.17 | |
| Molnova Chemicals | 10 days | United States To: | 98 | 1 g | 29.70 | |
Description: Chebulinic acid; CAS: 18942-26-2 | ||||||
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Similarity Analogs
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