TPCN06354
![[object Object]](../../static/browser_molecular_png/TPCN06354.png)
| Name | ?3,7-O,O-dibenzoyl ceanothic acid methylester |
| Molecular Formula | C45H56O8 |
| Molecular Weight | 724.94 |
| CAS Registry Number | 2304952-66-5 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C(C(=O)OC)C(OC(=O)c6ccccc6)C(C)(C)C5CC(OC(=O)c5ccccc5)C43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhamnaceae | Colubrina asiatica | Roots | 0.001350% | None | 10.1080/14786419.2018.1489385 |
Properties
| HBA | 8 | HBD | 1 |
| HeavyAtoms | 53 | AlogP | 8.80 |
| TPSA | 116.20 | RotatableBonds | 7 |
| FractionCSP3 | 0.60 | Rings | 7 |
| AromaticRings | 2 | AliphaticRings | 5 |