TPCN01281
![[object Object]](../../static/browser_molecular_png/TPCN01281.png)
| Name | Lobatin D |
| Molecular Formula | C21H28O8 |
| Molecular Weight | 408.45 |
| CAS Registry Number | 243142-59-8 |
| SMILES | C=C1C(=O)OC2CC(C)=CCC(=O)C(C)(O)C(OC(C)=O)C(OC(=O)C(C)C)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Neurolaena oaxacana | Leaves | 0.000967% | J Nat Prod 62(8): 1093-1095.(1999) | 10.1021/np990038t |
Properties
| HBA | 8 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 1.64 |
| TPSA | 116.20 | RotatableBonds | 3 |
| FractionCSP3 | 0.62 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |