Methyl 3-(acetyloxy)-2,19-dihydroxyurs-12-en-28-oate
methyl (1R,2R,4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Methyl 3-(acetyloxy)-2,19-dihydroxyurs-12-en-28-oate|Methyl (5xi)-3beta-(acetyloxy)-2alpha,19-dihydroxy-18alpha-urs-12-en-28-oate|methyl (1R,2R,4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C33H52O6 |
|---|---|
| Molecular Weight | 544.3764 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.3764 |
| Monoisotopic Mass | 544.3764 |
| Heavy Atoms | 39 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 54963-57-4 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)C)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)OC |
| InChIKey | PXDXCTTVAVOJTB-OJSNPXPSSA-N |
Product Overview
Methyl 3-(acetyloxy)-2,19-dihydroxyurs-12-en-28-oate (CAS 54963-57-4), with molecular formula C33H52O6 and molecular weight 544.3764 g/mol. IUPAC: methyl (1R,2R,4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Methyl 3-(acetyloxy)-2,19-dihydroxyurs-12-en-28-oate is a custom synthesis product. We offer services from milligram to kilogram scale.
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