TPCN01564
![[object Object]](../../static/browser_molecular_png/TPCN01564.png)
| Name | 1 beta,2 beta-diacetoxy-6 alpha,9 alpha-bis(benzoyloxy)dihydro-beta-agarofuran. |
| Molecular Formula | C33H42O7 |
| Molecular Weight | 550.69 |
| CAS Registry Number | 200262-53-9 |
| SMILES | CC(=O)OC1CC(C)C23OC(C)(C)C(CC(OCc4ccccc4)C2(C)C1OC(C)=O)C3OCc1ccccc1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Celastrus orbiculatus | Roots | 0.000311% | J Nat Prod 61(1): 108-111.(1998) | 10.1021/np9702392 |
Properties
| HBA | 7 | HBD | 0 |
| HeavyAtoms | 40 | AlogP | 5.63 |
| TPSA | 80.29 | RotatableBonds | 8 |
| FractionCSP3 | 0.58 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |