TPCN05826
![[object Object]](../../static/browser_molecular_png/TPCN05826.png)
| Name | 3??,19,23-trihydroxyurs-12-en-28-oic acid, namely, 4-epi-barbinervic acid;2??,3??-dihydroxyurs-12-en-28-oic acid |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.71 |
| CAS Registry Number | 1408060-75-2 |
| SMILES | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Verbena officinalis | Leaves | 0.000160% | Nat Prod Res. 2013;27(14):1293-7. | 10.1080/14786419.2012.733391. |
| Verbenaceae | Verbena officinalis | Leaves | 0.000107% | Nat Prod Res. 2013;27(14):1293-7. | 10.1080/14786419.2012.733391. |
Properties
| HBA | 5 | HBD | 4 |
| HeavyAtoms | 35 | AlogP | 5.18 |
| TPSA | 97.99 | RotatableBonds | 2 |
| FractionCSP3 | 0.90 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |