TPCN05831
![[object Object]](../../static/browser_molecular_png/TPCN05831.png)
| Name | Cimitriteromone D |
| Molecular Formula | C59H86O21 |
| Molecular Weight | 1131.32 |
| CAS Registry Number | 2245241-47-6 |
| SMILES | COc1c2c(cc3oc(COC4OC(COC(C)(C)C(OC(C)=O)C5CC(C)C6C(O)(O5)C(O)C5(C)C7CCC8C(C)(C)C(OC9OCC(O)C(O)C9O)CCC89CC79CCC65C)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 | 0.000133% | J Org Chem. 2018 Sep 7;83(17):10359-10369. | 10.1021/acs.joc.8b01466. |
Properties
| HBA | 21 | HBD | 9 |
| HeavyAtoms | 80 | AlogP | 2.88 |
| TPSA | 312.42 | RotatableBonds | 13 |
| FractionCSP3 | 0.83 | Rings | 11 |
| AromaticRings | 2 | AliphaticRings | 9 |