TPCN05233
![[object Object]](../../static/browser_molecular_png/TPCN05233.png)
| Name | Buxahejramine [(20S)-20-dimethylamino-20-hydroxy-3b-methyl-30-methyl-pentanoylamino-9,10-seco-buxa-9(11), 10(19)-dien-31-ol] |
| Molecular Formula | C32H54N2O3 |
| Molecular Weight | 514.80 |
| CAS Registry Number | 398477-72-0 |
| SMILES | CCC(C)C(O)C(=O)NC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)CCC4(C)C3CCC2C1(C)CO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Buxaceae | Buxus papillosa | Leaves | 0.000012% | Phytochemistry 58, 963-968 (2001) | 10.1016/s0031-9422(01)00332-6 |
Properties
| HBA | 5 | HBD | 3 |
| HeavyAtoms | 37 | AlogP | 5.33 |
| TPSA | 72.80 | RotatableBonds | 7 |
| FractionCSP3 | 0.84 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |