TPCN06129
![[object Object]](../../static/browser_molecular_png/TPCN06129.png)
| Name | 3-O-acetyloleanolic acid |
| Molecular Formula | C32H50O4 |
| Molecular Weight | 498.75 |
| CAS Registry Number | 4339-72-4 |
| SMILES | CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mussaenda macrophylla | Aerial parts | 0.000650% | J Nat Prod . 1999 Oct;62(10):1379-84 | 10.1021/np9901579 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 36 | AlogP | 7.80 |
| TPSA | 63.60 | RotatableBonds | 2 |
| FractionCSP3 | 0.88 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |