TPCN02272
![[object Object]](../../static/browser_molecular_png/TPCN02272.png)
| Name | 3,4-seco-labdane diterpenoid, 3,4-seco-12R,13S-dihydroxy-4(18),8(17),14(15)-labdatrien-3-oic acid |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.47 |
| CAS Registry Number | 1809182-47-5 |
| SMILES | C=CC(C)(O)C(O)CC1C(=C)CCC(C(=C)C)C1(C)CCC(=O)O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Callicarpa nudiflora | Leaves | 0.003703% | J Asian Nat Prod Res 16, 216-221 (2014). | 10.1080/10286020.2013.841675 |
Properties
| HBA | 4 | HBD | 3 |
| HeavyAtoms | 24 | AlogP | 3.70 |
| TPSA | 77.76 | RotatableBonds | 8 |
| FractionCSP3 | 0.65 | Rings | 1 |
| AromaticRings | 0 | AliphaticRings | 1 |