Betulin ditosylate
[5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl 4-methylbenzenesulfonate
Also Known As: Betulin ditosylate|[5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl 4-methylbenzenesulfonate
| Molecular Formula | C44H62O6S2 |
|---|---|
| Molecular Weight | 750.3988 g/mol |
| LogP | 10.44044 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 750.3988 |
| Monoisotopic Mass | 750.3988 |
| Heavy Atoms | 52 |
| Complexity | 1916.732 |
Chemical Identifiers
| CAS Number | 77265-02-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C2C4CCC5C6(CCC(C(C6CCC5(C4(CC3)C)C)(C)C)OS(=O)(=O)C7=CC=C(C=C7)C)C)C(=C)C |
Product Overview
Betulin ditosylate (CAS 77265-02-2), with molecular formula C44H62O6S2 and molecular weight 750.3988 g/mol. IUPAC: [5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl 4-methylbenzenesulfonate.
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