TPCN03081
| Name | (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 (2E,4E)-2,4-decadienoate |
| Molecular Formula | C32H44O8 |
| Molecular Weight | 556.70 |
| CAS Registry Number | 1366053-73-7 |
| SMILES | CCCCCC=CC=CC(=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 | Daphne genkwa | Buds | 0.000075% | J Asian Nat Prod Res 15, 502-506 (2013). | 10.1080/10286020.2013.786703 |
Properties
| HBA | 8 | HBD | 3 |
| HeavyAtoms | 40 | AlogP | 3.74 |
| TPSA | 130.36 | RotatableBonds | 9 |
| FractionCSP3 | 0.66 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |