TPCN05872
![[object Object]](../../static/browser_molecular_png/TPCN05872.png)
| Name | Cimitriteromone B |
| Molecular Formula | C59H84O20 |
| Molecular Weight | 1113.30 |
| CAS Registry Number | 2245241-45-4 |
| SMILES | COc1c2c(cc3oc(COC4OC(COC5(C(=O)C(C)C)CC(C)C6C(CC7(C)C8CCC9C(C)(C)C(OC%10OCC(O)C(O)C%10O)CCC9%10CC8%10CC(OC(C)=O)C67C)O5)C(O)C(O)C4O)cc(=O)c13)OC(C(C)(C)O)C2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Cimicifuga foetida | Subterraneous stems | 0.000030% | J Org Chem. 2018 Sep 7;83(17):10359-10369. | 10.1021/acs.joc.8b01466. |
Properties
| HBA | 20 | HBD | 7 |
| HeavyAtoms | 79 | AlogP | 3.98 |
| TPSA | 289.03 | RotatableBonds | 13 |
| FractionCSP3 | 0.81 | Rings | 11 |
| AromaticRings | 2 | AliphaticRings | 9 |