TPCN03430
| Name | 2H-Naphtho[1,8-bc]furan-6-carboxylic acid, 6-[2-(3-furanyl)-2-oxoethyl]-3,4,5,5a,6,7,8,8a-octahydro-7-methyl-2-oxo-, methyl ester, (5aR,6R,7R,8aS)- |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.39 |
| CAS Registry Number | 2387823-68-7 |
| SMILES | COC(=O)C1(CC(=O)c2ccoc2)C(C)CC2OC(=O)C3=C2C1CCC3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Croton crassifolius | Roots | 0.000375% | None | 10.1080/14786419.2019.1652290 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 26 | AlogP | 3.07 |
| TPSA | 82.81 | RotatableBonds | 4 |
| FractionCSP3 | 0.55 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |