Betulin
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.7 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 40.5 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 473-98-3 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
📖 Product Overview
Betulin (CAS: 473-98-3) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.7 g/mol. Its IUPAC systematic name is (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol.
FVWJYYTZTCVBKE-ROUWMTJPSA-N.
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO.
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