TPCN04088
![[object Object]](../../static/browser_molecular_png/TPCN04088.png)
| Name | 7-Deacetyl-21??-methoxydihydrobruceajavanin B |
| Molecular Formula | C31H48O5 |
| Molecular Weight | 500.72 |
| CAS Registry Number | 1436872-68-2 |
| SMILES | COC1OC(C2OC2(C)C)CC1C1CC=C2C1(C)CCC1C3(C)CCC(=O)C(C)(C)C3CC(O)C21C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Malvaceae | Kleinhovia hospita | Fruits | 0.000081% | Org Lett 15, 2734-2737 (2013). | 10.1021/ol401066j |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 36 | AlogP | 5.69 |
| TPSA | 68.29 | RotatableBonds | 3 |
| FractionCSP3 | 0.90 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |