TPCN00891
![[object Object]](../../static/browser_molecular_png/TPCN00891.png)
| Name | 8alpha-(2'E)-(2'-acetoxymethyl-2'-butenoyloxy)-3alpha,9beta-dihydroxy-1(10)E,4Z,1 1(13)-germacratrien-12,6alphaolide (2) |
| Molecular Formula | C22H28O8 |
| Molecular Weight | 420.46 |
| CAS Registry Number | 392680-48-7 |
| SMILES | C=C1C(=O)OC2C=C(C)C(O)CC=C(C)C(O)C(OC(=O)C(=CC)COC(C)=O)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Montanoa tomentosa | Aerial parts | 0.014851% | Planta Med 67, 774-776.(2001) | 10.1055/s-2001-18362 |
Properties
| HBA | 8 | HBD | 2 |
| HeavyAtoms | 30 | AlogP | 1.52 |
| TPSA | 119.36 | RotatableBonds | 4 |
| FractionCSP3 | 0.50 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |