| Name |
Berneuxia saponin B
(-)-Berneuxia saponin B |
| Formula |
C59H94O26 |
| Mw |
1218.60333318 |
| CAS RN |
214359-08-7 |
| C_ID |
C00044108
, 
|
| InChIKey |
GFXVRHSJEROLQU-GPELYQTPNA-N |
| InChICode |
InChI=1S/C59H94O26/c1-11-23(2)49(76)77-22-59-26(18-54(4,5)46(72)47(59)73)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)62)81-53-45(85-51-39(69)37(67)34(64)27(20-60)79-51)43(40(70)44(84-53)48(74)75)83-52-41(71)42(35(65)28(21-61)80-52)82-50-38(68)36(66)33(63)24(3)78-50/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)OC[C@@]12[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]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)C(O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1CC(C)(C)C(O)[C@@H]2O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Diapensiaceae | Berneuxia thibetica | Ref. |
|
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