TPCN01794
![[object Object]](../../static/browser_molecular_png/TPCN01794.png)
| Name | 6??-(2??-Methylbutyryloxy)eremophil-3,7(11),8-trien-8,12-olide-15oic acid methyl ester |
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.43 |
| CAS Registry Number | 932699-33-7 |
| SMILES | CCC(C)C(=O)OC1C2=C(C)C(=O)OC2=CC2CCC=C(C(=O)OC)C21C |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Ligularia lapathifolia | Roots | 0.000111% | J Nat Prod 70(2): 241-245.(2007) | 10.1021/np060304k |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 27 | AlogP | 3.23 |
| TPSA | 78.90 | RotatableBonds | 4 |
| FractionCSP3 | 0.57 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |