TPCN00873
![[object Object]](../../static/browser_molecular_png/TPCN00873.png)
| Name | 8a-(4-hydroxymethacryloyloxy)-hirsutinolide-13-O-acetate;8b-(2-Hydroxymethylacryloyloxy)hirsutinolide 13-O-acetate |
| Molecular Formula | C21H26O9 |
| Molecular Weight | 422.43 |
| CAS Registry Number | 883872-72-8 |
| SMILES | C=C(CO)C(=O)OC1CC(C)C2(O)CCC(C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia cinerea | Whole plants | 0.021500% | Chem Pharm Bull (Tokyo) 54(10): 1437-1439.(2006) | 10.1248/cpb.54.1437 |
| Asteraceae | Vernonia chinensis | Whole plants | 0.003280% | Planta Med 71(10): 949-954.（2005） | 10.1055/s-2005-871212 |
Properties
| HBA | 9 | HBD | 2 |
| HeavyAtoms | 30 | AlogP | 1.04 |
| TPSA | 128.59 | RotatableBonds | 5 |
| FractionCSP3 | 0.57 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |