Name |
Rotundioside X (-)-Rotundioside X |
Formula |
C48H80O17 |
Mw |
928.53955113 |
CAS RN |
925673-75-2 |
C_ID |
C00031226
,
|
InChIKey |
GHGSMSLFPHINJZ-YWVROREINA-N |
InChICode |
InChI=1S/C48H80O17/c1-22-31(53)34(56)37(65-42-38(35(57)33(55)27(19-49)62-42)64-40-36(58)32(54)25(51)20-60-40)41(61-22)63-30-11-12-45(6)28(44(30,4)5)10-13-46(7)39(45)26(59-9)16-23-24-17-43(2,3)14-15-48(24,21-50)29(52)18-47(23,46)8/h16,22,24-42,49-58H,10-15,17-21H2,1-9H3/t22-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
SMILES |
C1(CC[C@]2([C@@H](C1)C1=C[C@@H]([C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(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)C)C)OC)CO)(C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apiaceae | Bupleurum rotundifolium | Ref. |
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