| Name |
Rotundioside K
(-)-Rotundioside K |
| Formula |
C48H78O22S |
| Mw |
1038.47054491 |
| CAS RN |
925673-67-2 |
| C_ID |
C00031213
, 
|
| InChIKey |
GWWYPWDLEGGWHL-YGFMQGCJNA-N |
| InChICode |
InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)50)42(60)69-41-38(59)35(56)32(53)25(68-41)20-65-40-37(58)34(55)31(52)24(67-40)19-64-39-36(57)33(54)30(51)23(18-49)66-39/h8-9,21-41,49-59H,10-20H2,1-7H3,(H,61,62,63)/t21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41-,45-,46+,47+,48+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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