| Name |
Rotundioside S
(-)-Rotundioside S |
| Formula |
C48H78O17 |
| Mw |
926.52390107 |
| CAS RN |
925673-64-9 |
| C_ID |
C00031221
, 
|
| InChIKey |
VRYRMXWYCOQDIY-JKTBKRFCNA-N |
| InChICode |
InChI=1S/C48H78O17/c1-21-30(52)33(55)36(58)39(60-21)64-38-35(57)32(54)23(19-49)62-41(38)65-37-34(56)31(53)22(2)61-40(37)63-29-12-13-44(7)24(43(29,5)6)10-14-45(8)25(44)11-15-48-26-16-42(3,4)27(50)18-47(26,20-59-48)28(51)17-46(45,48)9/h11,15,21-41,49-58H,10,12-14,16-20H2,1-9H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,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]6C=C[C@]78OC[C@@]9(C[C@@H](O)C(C)(C)C[C@H]97)[C@H](O)C[C@@]8(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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