| Name |
Rotundioside R
(-)-Rotundioside R |
| Formula |
C49H82O18 |
| Mw |
958.55011582 |
| CAS RN |
343255-04-9 |
| C_ID |
C00031220
, 
|
| InChIKey |
STYVEYOSURATMR-WUSLQZRQNA-N |
| InChICode |
InChI=1S/C49H82O18/c1-21-31(54)34(57)37(60)41(62-21)66-39-36(59)33(56)26(19-50)64-43(39)67-38-35(58)32(55)22(2)63-42(38)65-30-12-13-46(7)27(45(30,5)6)11-14-47(8)40(46)25(61-10)15-23-24-16-44(3,4)28(52)18-49(24,20-51)29(53)17-48(23,47)9/h15,21-22,24-43,50-60H,11-14,16-20H2,1-10H3/t21-,22+,24-,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 |
CO[C@@H]1C=C2[C@@H]3CC(C)(C)[C@H](O)C[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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