| Name |
Rotundifolioside J |
| Formula |
C48H78O16 |
| Mw |
910.52898644 |
| CAS RN |
626253-87-0 |
| C_ID |
C00031208
, 
|
| InChIKey |
YYFFLJVNDZHSNP-JQNZNKFUNA-N |
| InChICode |
InChI=1S/C48H78O16/c1-21-10-16-47-20-58-48(39(47)22(21)2)17-12-27-44(7)14-13-29(43(5,6)26(44)11-15-45(27,8)46(48,9)18-28(47)50)62-41-37(34(55)31(52)24(4)60-41)64-42-38(35(56)32(53)25(19-49)61-42)63-40-36(57)33(54)30(51)23(3)59-40/h12,17,21-42,49-57H,10-11,13-16,18-20H2,1-9H3/t21-,22+,23+,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 |
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)(CC[C@H]([C@@H]1C)C)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]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
|
zoom in
|
