TPCN01922
![[object Object]](../../static/browser_molecular_png/TPCN01922.png)
| Name | 6??-acetoxy-9??-benzoyloxy-1??-cinnamoyloxy-8??-(2-methylbutanoyloxy)-??-dihydroagarofuran |
| Molecular Formula | C38H46O9 |
| Molecular Weight | 646.78 |
| CAS Registry Number | 813460-02-5 |
| SMILES | CCC(C)C(=O)OC1C2C(OC(C)=O)C3(OC2(C)C)C(C)CCC(OC(=O)C=Cc2ccccc2)C3(C)C1OC(=O)c1ccccc1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Celastrus orbiculatus | Fruits | 0.000050% | Chem Pharm Bull (Tokyo) 52(9): 1134-1136.(2004) | 10.1248/cpb.52.1134 |
Properties
| HBA | 9 | HBD | 0 |
| HeavyAtoms | 47 | AlogP | 6.34 |
| TPSA | 114.43 | RotatableBonds | 9 |
| FractionCSP3 | 0.53 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |