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 |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@@H](C=C1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)C)C)C)(C)C)OS(=O)(=O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apiaceae | Bupleurum rotundifolium | Ref. |
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zoom in
Organism | Bupleurum rotundifolium | Reference | Fujioka,Chem.Pharm.Bull.,54,(2006),1694 |
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