| Name |
Rotundioside Y |
| Formula |
C49H82O17 |
| Mw |
942.55520119 |
| CAS RN |
343255-03-8 |
| C_ID |
C00031227
, 
|
| InChIKey |
HCYLTRZKHWGEIZ-BGHUZKPUNA-N |
| InChICode |
InChI=1S/C49H82O17/c1-22-31(53)34(56)37(59)41(61-22)65-39-36(58)33(55)27(20-50)63-43(39)66-38-35(57)32(54)23(2)62-42(38)64-30-12-13-46(7)28(45(30,5)6)11-14-47(8)40(46)26(60-10)17-24-25-18-44(3,4)15-16-49(25,21-51)29(52)19-48(24,47)9/h17,22-23,25-43,50-59H,11-16,18-21H2,1-10H3/t22-,23+,25-,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,46-,47+,48+,49+/m0/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]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C)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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