TPCN02525
![[object Object]](../../static/browser_molecular_png/TPCN02525.png)
| Name | 3-Pyridinecarboxylic acid, [(1S,1aS,3S,3aS,4R,4aR,5S,6S,7aR,9R,9aR,9bS)-3-(acetyloxy)-4-(benzoyloxy)tetradecahydro-7a,9-dihydroxy-1,3a,6,9-tetramethyl-8-oxo-5-[(3-pyridinylcarbonyl)oxy]-1H-cyclopropa[3,4]benz[1,2-f]azulen-1-yl]methyl ester |
| Molecular Formula | C41H44N2O11 |
| Molecular Weight | 740.81 |
| CAS Registry Number | 213920-27-5 |
| SMILES | CC(=O)OC1CC2C(C3C(C)(O)C(=O)C4(O)CC(C)C(OC(=O)c5cccnc5)C4C(OC(=O)c4ccccc4)C13C)C2(C)COC(=O)c1cccnc1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Euphorbia seguieriana | Whole plants | 0.000828% | J Nat Prod 61, 1198-1201 (1998). | 10.1021/np970559l |
Properties
| HBA | 13 | HBD | 2 |
| HeavyAtoms | 54 | AlogP | 4.02 |
| TPSA | 188.51 | RotatableBonds | 8 |
| FractionCSP3 | 0.49 | Rings | 7 |
| AromaticRings | 3 | AliphaticRings | 4 |