TPCN05869
| Name | 24,25,26,30-Tetranoroleana-1(10),5,7-triene-2,21-dione, 3-hydroxy-3,4-[[(9??,13??,14??,20??,22??)-22-hydroxy-9,13-dimethyl-6,21-dioxo-24,25,26,30-tetranoroleana-1,3,5(10)-triene-3,2-diyl]bis(oxy)]-9,13-dimethyl-, (3??,4??,9??,13??,14??,20??)- (9CI) |
| Molecular Formula | C56H72O8 |
| Molecular Weight | 873.18 |
| CAS Registry Number | 758708-93-9 |
| SMILES | Cc1c2c(cc3c1C(=O)CC1C3(C)CCC3(C)C4CC(C)C(=O)C(O)C4(C)CCC13C)OC1(O)C(=O)C=C3C(=CC=C4C3(C)CCC3(C)C5CC(C)C(=O)CC5(C)CCC43C)C1(C)O2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Maytenus chuchuhuasca | Barks | 0.000036% | Chem Pharm Bull (Tokyo). 2004 Jun;52(6):739-46. | 10.1248/cpb.52.739. |
Properties
| HBA | 8 | HBD | 2 |
| HeavyAtoms | 64 | AlogP | 10.47 |
| TPSA | 127.20 | RotatableBonds | 0 |
| FractionCSP3 | 0.71 | Rings | 11 |
| AromaticRings | 1 | AliphaticRings | 10 |