| Name |
Berneuxia saponin A
(-)-Berneuxia saponin A |
| Formula |
C59H94O26 |
| Mw |
1218.60333318 |
| CAS RN |
214350-98-8 |
| C_ID |
C00044107
, 
|
| InChIKey |
BSTIFOMKFZNLER-LQUUGMFNNA-N |
| InChICode |
InChI=1S/C59H94O26/c1-11-23(2)49(76)85-47-46(73)59(22-62)26(18-54(47,4)5)25-12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,9)58(25,10)19-31(59)63)80-53-45(84-51-39(70)37(68)34(65)27(20-60)78-51)43(40(71)44(83-53)48(74)75)82-52-41(72)42(35(66)28(21-61)79-52)81-50-38(69)36(67)33(64)24(3)77-50/h11-12,24,26-47,50-53,60-73H,13-22H2,1-10H3,(H,74,75)/b23-11+/t24-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47-,50-,51-,52-,53+,56-,57+,58+,59-/m0/s1 |
| SMILES |
C(=C\C)(/C)\C(=O)O[C@@H]1C(C[C@@H]2[C@]([C@H]1O)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(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)C)O)CO)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Diapensiaceae | Berneuxia thibetica | Ref. |
|
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