| Name |
Rotundifolioside D
(-)-Rotundifolioside D |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
626253-95-0 |
| C_ID |
C00031202
, 
|
| InChIKey |
FMFFBDMNMHFSEA-YXJUQPIUNA-N |
| InChICode |
InChI=1S/C47H76O17/c1-19-9-14-47(18-49)28(20(19)2)22-15-23(50)37-44(6)12-11-27(43(4,5)26(44)10-13-45(37,7)46(22,8)38-39(47)64-38)61-41-35(32(55)29(52)21(3)59-41)63-42-36(33(56)31(54)25(16-48)60-42)62-40-34(57)30(53)24(51)17-58-40/h15,19-21,23-42,48-57H,9-14,16-18H2,1-8H3/t19-,20+,21-,23+,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]3O[C@@H]3[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](OC6O[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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