(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 2-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11(16),12,14,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
Structure Info
- Chemspace ID
- CSSB09881015282 (In-Stock Building Blocks)
- MFCD
- MFCD32862548
- IUPAC Name
- (1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 2-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11(16),12,14,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
- Mol formula
- C82H54O52
- Mol weight
- 1871 Da
- Catalog Number(s)
- ACM82203018, B1370-384810, D85140, HY-N9931
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.91
- Heavy atoms count
- 134
- Rotatable bond count
- 8
- Number of rings
- 16
- Carbon bond saturation, Fsp3
- 0.146
- Polar surface area (Å)
- 877
- Hydrogen bond acceptors count
- 41
- Hydrogen bond donors count
- 29
![Chemical structure of (1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 2-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11(16),12,14,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate (C82H54O52) - CSSB09881015282](/st/structure/200/be03805b07152d07996e9b134c357d63/OC1%253DCC%2528%253DCC%2528OC2%253DC%2528C%253DC%2528O%2529C%2528O%2529%253DC2O%2529C%2528%253DO%2529O%255BC%2540H%255D2O%255BC%2540%2540H%255D3COC%2528%253DO%2529C4%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC4C4%253DC%2528C%253DC%2528O%2529C%2528O%2529%253DC4O%2529C%2528%253DO%2529O%255BC%2540H%255D3%255BC%2540%2540H%255D3OC%2528%253DO%2529C4%253DC%2528C%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC4%2529C4%253DC%2528O%2529C%2528O%2529%253DC%2528O%2529C%253DC4C%2528%253DO%2529O%255BC%2540%2540H%255D23%2529%253DC1O%2529C%2528%253DO%2529O%255BC%2540H%255D1O%255BC%2540%2540H%255D2COC%2528%253DO%2529C3%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC3C3%253DC%2528C%253DC%2528O%2529C%2528O%2529%253DC3O%2529C%2528%253DO%2529O%255BC%2540H%255D2%255BC%2540%2540H%255D2OC%2528%253DO%2529C3%253DCC%2528O%2529%253DC%2528O%2529C%2528O%2529%253DC3C3%253DC%2528C%253DC%2528O%2529C%2528O%2529%253DC3O%2529C%2528%253DO%2529O%255BC%2540%2540H%255D12.png "C82H54O52")
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- CSSB09881015282
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BOC Sciences | 24 days | United States To: | 95 | 5 mg | 987.80 | |
Description: CAS: 82203-01-8 | ||||||
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