betulinic acid
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.7 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 57.5 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 472-15-1 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
| InChIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
📖 Product Overview
betulinic acid (CAS: 472-15-1) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.7 g/mol. Its IUPAC systematic name is (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid.
QGJZLNKBHJESQX-FZFNOLFKSA-N.
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O.
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