| Name |
Rotundioside G |
| Formula |
C47H76O16 |
| Mw |
896.51333638 |
| CAS RN |
100665-39-2 |
| C_ID |
C00031211
, 
|
| InChIKey |
LOMHITWHYXGWQO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,43+,44-,45+,46+,47-/m1/s1 |
| SMILES |
C1[C@H](C([C@H]2[C@](C1)([C@H]1[C@@](CC2)([C@]2([C@@]3(C=C1)[C@H]1[C@]([C@@H](C2)O)(CCC(C1)(C)C)CO3)C)C)C)(C)C)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[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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