| Name |
QS-III |
| Formula |
C104H168O55 |
| Mw |
2297.03490959 |
| CAS RN |
504-42-7 |
| C_ID |
C00040128
, 
|
| InChIKey |
QFXSNWZUQWDOLI-WOGOJBHZNA-N |
| InChICode |
InChI=1S/C104H168O55/c1-14-38(3)49(144-58(115)26-44(111)25-50(39(4)15-2)145-93-82(65(122)53(32-107)148-93)156-89-70(127)66(123)60(117)40(5)141-89)24-43(110)27-59(116)150-78-61(118)41(6)142-94(83(78)158-92-75(132)80(154-90-71(128)67(124)63(120)51(30-105)146-90)76(42(7)143-92)151-88-74(131)77(48(113)34-139-88)152-96-85(133)103(137,36-109)37-140-96)159-97(136)104-23-22-98(8,9)28-46(104)45-16-17-55-99(10)20-19-57(100(11,35-108)54(99)18-21-101(55,12)102(45,13)29-56(104)114)149-95-84(157-91-72(129)68(125)64(121)52(31-106)147-91)79(73(130)81(155-95)86(134)135)153-87-69(126)62(119)47(112)33-138-87/h16,35,38-44,46-57,60-85,87-96,105-107,109-114,117-133,137H,14-15,17-34,36-37H2,1-13H3,(H,134,135)/t38-,39-,40-,41+,42-,43+,44+,46-,47+,48-,49+,50-,51+,52+,53-,54+,55+,56+,57-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,72+,73-,74-,75+,76-,77-,78-,79-,80+,81-,82+,83+,84+,85-,87-,88+,89-,90-,91-,92-,93+,94-,95+,96-,99-,100-,101+,102+,103+,104+/m0/s1 |
| SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O[C@@H]1OC[C@@]([C@H]1O)(CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)OC(=O)C[C@@H](C[C@@H](OC(=O)C[C@@H](C[C@H](O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)[C@@H](C)CC)O)[C@@H](C)CC)O)O)C)C)C)C)(C)C=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Quillajaceae | Quillaja saponaria  | Ref. |
|
|
zoom in
| Organism | Quillaja saponaria |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
