TPCN01797
![[object Object]](../../static/browser_molecular_png/TPCN01797.png)
| Name | Volvalerelactones B |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.34 |
| CAS Registry Number | 1309580-76-4 |
| SMILES | CC12CCC3C(C(C(=O)O)C1CCC(=O)O2)C3(C)C |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Valeriana officinalis | Roots | 0.000107% | Org Lett 13(12): 3036-3039.(2011) | 10.1021/ol200878w |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 19 | AlogP | 2.47 |
| TPSA | 63.60 | RotatableBonds | 1 |
| FractionCSP3 | 0.87 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |