| Name |
Jegosaponin D
(-)-Jegosaponin D |
| Formula |
C62H98O27 |
| Mw |
1274.62954793 |
| CAS RN |
290809-70-0 |
| C_ID |
C00033085
, 
|
| InChIKey |
UHZXCEMVIMFRAD-OFAGYLBINA-N |
| InChICode |
InChI=1S/C62H98O27/c1-11-12-13-14-36(67)85-51-50(77)62(25-80-27(3)65)29(21-57(51,4)5)28-15-16-33-59(8)19-18-35(58(6,7)32(59)17-20-60(33,9)61(28,10)22-34(62)66)84-56-49(89-54-44(75)41(72)38(69)30(23-63)82-54)46(45(76)47(87-56)52(78)79)86-55-48(42(73)39(70)31(24-64)83-55)88-53-43(74)40(71)37(68)26(2)81-53/h13-15,26,29-35,37-51,53-56,63-64,66,68-77H,11-12,16-25H2,1-10H3,(H,78,79)/b14-13-/t26-,29-,30+,31+,32-,33+,34+,35-,37-,38+,39-,40+,41-,42-,43+,44+,45-,46-,47-,48+,49+,50-,51-,53-,54-,55-,56+,59-,60+,61+,62-/m0/s1 |
| SMILES |
CCC/C=CC(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Styracaceae | Styrax japonica SIEB.et ZUCC. | Ref. |
|
|
zoom in
| Organism | Styrax japonica SIEB.et ZUCC. |
|---|
| Reference | Yoshikawa,Chem.Pharm.Bull.,48,(2000),1093 |
|---|
|
