Tingenin B
(6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
| Molecular Formula | C28H36O4 |
|---|---|
| Molecular Weight | 436.6 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 436.26135 |
| Heavy Atoms | 32 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 50656-68-3 |
|---|---|
| SMILES | CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C(C1=O)O)C |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
📖 Product Overview
Tingenin B (CAS: 50656-68-3) is a chemical compound with molecular formula C28H36O4 and molecular weight 436.6 g/mol. Its IUPAC systematic name is (6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione.
QIRUFAFQGKOTKA-ZRWKYKNNSA-N.
SMILES: CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C(C1=O)O)C.
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