2-[(4R,5S,7R,25S,26S,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
Structure Info
- Chemspace ID
- CSSB06835377577 (In-Stock Building Blocks)
- CAS
- 23094-71-5
- MFCD
- MFCD09264640
- IUPAC Name
- 2-[(4R,5S,7R,25S,26S,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
- Mol formula
- C41H30O27
- Mol weight
- 955 Da
- Catalog Number(s)
- U106602
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.3
- Heavy atoms count
- 68
- Rotatable bond count
- 5
- Number of rings
- 8
- 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,25S,26S,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0⁴,²⁵.0⁷,²⁶.0¹¹,¹⁶.0¹⁷,²².0³⁴,³⁸]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid (C41H30O27) - CSSB06835377577](/st/structure/200/4139fe58a51859034af013febddcd46b/O%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528CC%2528O%2529%253DO%2529C%2528%253DO%2529O%255BC%2540H%255D3%255BC%2540H%255D4COC%2528%253DO%2529c5cc%2528O%2529c%2528O%2529c%2528O%2529c5-c5c%2528O%2529c%2528O%2529c%2528O%2529cc5C%2528%253DO%2529O%255BC%2540%2540H%255D3%255BC%2540%2540H%255D%2528OC%2528%253DO%2529c3cc%2528O%2529c%2528O%2529c%2528OC1%253DO%2529c23%2529%255BC%2540H%255D%2528OC%2528%253DO%2529c1cc%2528O%2529c%2528O%2529c%2528O%2529c1%2529O4.png "C41H30O27")
- Zoom the structure
- CSSB06835377577
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 10 days | China To: | 98 | 10 mg | 110.00 | |
Description: Chebulagic acid; CAS: 23094-71-5 | ||||||
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