TPCN02375
| Name | Octanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester |
| Molecular Formula | C30H44O8 |
| Molecular Weight | 532.67 |
| CAS Registry Number | 72416-83-2 |
| SMILES | CCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Thymelaeaceae | Pimelea elongata | Leaves | 0.002000% | J Nat Prod 73, 1907-1913 (2010). | 10.1021/np1005746 |
Properties
| HBA | 8 | HBD | 3 |
| HeavyAtoms | 38 | AlogP | 3.41 |
| TPSA | 130.36 | RotatableBonds | 9 |
| FractionCSP3 | 0.77 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |