| Name |
Rotundioside Q
(-)-Rotundioside Q |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
925673-63-8 |
| C_ID |
C00031219
, 
|
| InChIKey |
ZCUQTZVOUTYBFB-RTYANBIXNA-N |
| InChICode |
InChI=1S/C47H76O17/c1-21-30(52)33(55)36(64-40-37(34(56)32(54)23(18-48)61-40)63-38-35(57)31(53)22(49)19-58-38)39(60-21)62-29-11-12-43(6)24(42(29,4)5)9-13-44(7)25(43)10-14-47-26-15-41(2,3)27(50)17-46(26,20-59-47)28(51)16-45(44,47)8/h10,14,21-40,48-57H,9,11-13,15-20H2,1-8H3/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,43+,44-,45+,46-,47+/m1/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3(C=C1)[C@H]1[C@@]([C@@H](C2)O)(C[C@H](C(C1)(C)C)O)CO3)C)C)C)(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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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