| Name |
Ajugasalicioside H
(-)-Ajugasalicioside H |
| Formula |
C53H88O24 |
| Mw |
1108.56655374 |
| CAS RN |
503623-38-9 |
| C_ID |
C00044513
, 
|
| InChIKey |
CWLUVFCZEQBRPJ-HGSHTQAYNA-N |
| InChICode |
InChI=1S/C53H88O24/c1-6-22-14-29(77-53(22,5)20-69-49-45(41(65)37(61)32(18-56)73-49)75-47-43(67)39(63)35(59)30(16-54)71-47)21(2)34-28(58)15-27-25-8-7-23-13-24(9-11-51(23,3)26(25)10-12-52(27,34)4)70-50-46(42(66)38(62)33(19-57)74-50)76-48-44(68)40(64)36(60)31(17-55)72-48/h8,21-24,26-50,54-68H,6-7,9-20H2,1-5H3/t21-,22+,23+,24+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48-,49-,50-,51+,52+,53-/m1/s1 |
| SMILES |
CC[C@H]1C[C@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3C4=CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga salicifolia | Ref. |
|
|
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