| Name |
Rotundifolioside E
(-)-Rotundifolioside E |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
626253-91-6 |
| C_ID |
C00031203
, 
|
| InChIKey |
UVDSCNQFLTZJMF-RGZRNKIANA-N |
| InChICode |
InChI=1S/C47H76O17/c1-20-21(2)38-46(15-23(20)49)19-59-47(38)14-10-27-43(6)12-11-29(42(4,5)26(43)9-13-44(27,7)45(47,8)16-28(46)51)62-40-36(33(55)30(52)22(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,14,20-41,48-57H,9,11-13,15-19H2,1-8H3/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,43-,44+,45-,46-,47?/m0/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@H]([C@@H]1C)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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