TPCN01523
![[object Object]](../../static/browser_molecular_png/TPCN01523.png)
| Name | Celafolin A-1 |
| Molecular Formula | C33H40O6 |
| Molecular Weight | 532.68 |
| CAS Registry Number | 200262-56-2 |
| SMILES | CC(=O)OC1CCC(C)C23OC(C)(C)C(CC(OCc4ccccc4)C12C)C3OC(=O)C=Cc1ccccc1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Celastrus orbiculatus | Roots | 0.000356% | J Nat Prod 61(1): 108-111.(1998) | 10.1021/np9702392 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 39 | AlogP | 6.13 |
| TPSA | 71.06 | RotatableBonds | 7 |
| FractionCSP3 | 0.52 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |