| Name |
Polyacetyleneginsenoside Ro |
| Formula |
C65H100O21 |
| Mw |
1216.67571026 |
| CAS RN |
421547-02-6 |
| C_ID |
C00057387
|
| InChIKey |
ZFISZYZPHSICQI-WIHZEACHSA-N |
| InChICode |
InChI=1S/C65H100O21/c1-10-12-13-14-18-21-39(38(69)20-17-15-16-19-35(68)11-2)80-55(78)53-49(74)50(75)54(85-56-51(76)47(72)45(70)40(33-66)81-56)58(84-53)83-44-25-26-62(7)42(61(44,5)6)24-27-64(9)43(62)23-22-36-37-32-60(3,4)28-30-65(37,31-29-63(36,64)8)59(79)86-57-52(77)48(73)46(71)41(34-67)82-57/h11,22,35,37-54,56-58,66-77H,2,10,12-14,18,20-21,23-34H2,1,3-9H3/t35-,37+,38+,39?,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54-,56+,57+,58-,62+,63-,64-,65+/m1/s1 |
| SMILES |
C=C[C@@H](O)C#CC#CC[C@H](O)C(CCCCCCC)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Panax ginseng  | Ref. |
|
|
zoom in
| Organism | Panax ginseng |
|---|
| Reference | Zhang, H. et al., Tet. Lett., 2002, 43, 973-977 |
|---|
|
