| Name |
Rotundioside U |
| Formula |
C48H80O18 |
| Mw |
944.53446575 |
| CAS RN |
925673-72-9 |
| C_ID |
C00031223
, 
|
| InChIKey |
OCRSGUCOADYWMQ-BYWRCOLANA-N |
| InChICode |
InChI=1S/C48H80O18/c1-22-31(54)34(57)37(66-42-38(35(58)33(56)27(18-49)63-42)65-40-36(59)32(55)25(52)19-61-40)41(62-22)64-30-10-11-44(4)28(45(30,5)20-50)9-12-46(6)39(44)26(60-8)15-23-24-16-43(2,3)13-14-48(24,21-51)29(53)17-47(23,46)7/h15,22,24-42,49-59H,9-14,16-21H2,1-8H3/t22-,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1 |
| SMILES |
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@](C)(CO)[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]4OC[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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