TPCN01542
![[object Object]](../../static/browser_molecular_png/TPCN01542.png)
| Name | Lobatin B |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.41 |
| CAS Registry Number | 84754-02-9 |
| SMILES | C=C1C(=O)OC2C=C(C)C3=CC(=O)C(C)(O3)C(O)C(OC(=O)CC(C)C)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Neurolaena oaxacana | Leaves | 0.000333% | J Nat Prod 62(8): 1093-1095.(1999) | 10.1021/np990038t |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 1.60 |
| TPSA | 99.13 | RotatableBonds | 3 |
| FractionCSP3 | 0.55 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |