| Name |
Berneuxia saponin C
(-)-Berneuxia saponin C |
| Formula |
C54H86O24 |
| Mw |
1118.55090368 |
| CAS RN |
214359-10-1 |
| C_ID |
C00044109
, 
|
| InChIKey |
FZCIRIVQLIXAHR-XZTBHHJQNA-N |
| InChICode |
InChI=1S/C54H86O24/c1-21-31(60)34(63)36(65)45(71-21)75-40-33(62)25(19-56)73-47(39(40)68)76-41-38(67)42(44(69)70)77-48(43(41)78-46-37(66)35(64)32(61)24(18-55)72-46)74-30-12-13-51(6)26(50(30,4)5)11-14-52(7)27(51)10-9-22-23-15-49(2,3)28(58)17-54(23,20-57)29(59)16-53(22,52)8/h9,21,23-27,29-43,45-48,55-57,59-68H,10-20H2,1-8H3,(H,69,70)/t21-,23-,24+,25+,26-,27+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43+,45-,46-,47-,48+,51-,52+,53+,54+/m0/s1 |
| SMILES |
C1(C(=O)C[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)CO)O)C(=O)O)C)C)CO)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Diapensiaceae | Berneuxia thibetica | Ref. |
|
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