| Name |
Jegosaponin C
(-)-Jegosaponin C |
| Formula |
C61H96O27 |
| Mw |
1260.61389786 |
| CAS RN |
290809-69-7 |
| C_ID |
C00033084
, 
|
| InChIKey |
UYFQJDSRPREVFX-PFTUTMHGNA-N |
| InChICode |
InChI=1S/C61H96O27/c1-12-24(2)51(78)88-49-48(75)56(5,6)19-28-27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(65)61(28,49)23-79-26(4)64)83-55-47(87-53-42(73)39(70)36(67)29(21-62)81-53)44(43(74)45(85-55)50(76)77)84-54-46(40(71)37(68)30(22-63)82-54)86-52-41(72)38(69)35(66)25(3)80-52/h12-13,25,28-49,52-55,62-63,65-75H,14-23H2,1-11H3,(H,76,77)/b24-12+/t25-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,58-,59+,60+,61-/m0/s1 |
| SMILES |
C/C=C(C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@H]2C3=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@@]4(C)[C@]3(C)C[C@@H](O)[C@]21COC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Styracaceae | Styrax japonica SIEB.et ZUCC. | Ref. |
|
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