TPCN02628
| Name | 3-Pyridinecarboxylic acid, (1S,2aR,3R,4aS,5R,5aR,6S,7S,8aR,9R,10R,10aR,10bS)-1,6,8a-tris(acetyloxy)tetradecahydro-1,7,10-trimethyl-3-(2-methyl-1-oxopropoxy)-4-oxo-1H-10,4a-(epoxymethano)cyclobuta[3,4]benz[1,2-f]azulene-5,9-diyl ester |
| Molecular Formula | C42H48N2O14 |
| Molecular Weight | 804.85 |
| CAS Registry Number | 213920-23-1 |
| SMILES | CC(=O)OC1C(C)CC2(OC(C)=O)C1C(OC(=O)c1cccnc1)C13COC(C)(C2OC(=O)c2cccnc2)C1C1C(CC1(C)OC(C)=O)C(OC(=O)C(C)C)C3=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Euphorbia seguieriana | Whole plants | 0.000510% | J Nat Prod 61, 1198-1201 (1998). | 10.1021/np970559l |
Properties
| HBA | 16 | HBD | 0 |
| HeavyAtoms | 58 | AlogP | 3.63 |
| TPSA | 209.88 | RotatableBonds | 9 |
| FractionCSP3 | 0.60 | Rings | 7 |
| AromaticRings | 2 | AliphaticRings | 5 |