TPCN00957
![[object Object]](../../static/browser_molecular_png/TPCN00957.png)
| Name | 8-O-isobutyryl-9??-acetoxycumambrin B |
| Molecular Formula | C21H28O7 |
| Molecular Weight | 392.45 |
| CAS Registry Number | 299179-43-4 |
| SMILES | C=C1C(=O)OC2C1C(OC(=O)C(C)C)C(OC(C)=O)C(C)(O)C1CC=C(C)C21 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Anthemis carpatica | Whole plants | 0.006842% | Z Naturforsch C J Biosci 57(9-10): 769-772.(2002) | 10.1515/znc-2002-9-1001 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 28 | AlogP | 1.93 |
| TPSA | 99.13 | RotatableBonds | 3 |
| FractionCSP3 | 0.67 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |