| Name |
Rotundioside M
(-)-Rotundioside M |
| Formula |
C48H78O17 |
| Mw |
926.52390107 |
| CAS RN |
925673-69-4 |
| C_ID |
C00031215
, 
|
| InChIKey |
JMEQHZUERYFNHJ-ZKWFPHLRNA-N |
| InChICode |
InChI=1S/C48H78O17/c1-20-28(52)31(55)34(58)40(59-20)63-36-33(57)30(54)25(18-49)61-42(36)64-35-32(56)29(53)21(2)60-41(35)62-27-11-12-45(7)26(44(27,5)6)10-13-46(8)37(45)24(51)16-22-23-17-43(3,4)14-15-48(23,19-50)39-38(65-39)47(22,46)9/h16,20-21,23-42,49-58H,10-15,17-19H2,1-9H3/t20-,21+,23-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,45-,46+,47-,48+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@]5(C)[C@H]6[C@H](O)C=C7[C@@H]8CC(C)(C)CC[C@]8(CO)[C@@H]8O[C@@H]8[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)O[C@H](C)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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