| Name |
Rotundifolioside B
(-)-Rotundifolioside B |
| Formula |
C47H78O17 |
| Mw |
914.52390107 |
| CAS RN |
626253-93-8 |
| C_ID |
C00031200
, 
|
| InChIKey |
DVWGWTHVNBZXHK-ZKAVXXIXNA-N |
| InChICode |
InChI=1S/C47H78O17/c1-20-9-14-47(19-49)28(52)16-46(8)23(30(47)21(20)2)15-24(50)39-44(6)12-11-29(43(4,5)27(44)10-13-45(39,46)7)62-41-37(34(56)31(53)22(3)60-41)64-42-38(35(57)33(55)26(17-48)61-42)63-40-36(58)32(54)25(51)18-59-40/h15,20-22,24-42,48-58H,9-14,16-19H2,1-8H3/t20-,21+,22-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45-,46-,47+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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