Name |
Rotundioside N (-)-Rotundioside N |
Formula |
C48H78O18 |
Mw |
942.51881569 |
CAS RN |
925673-70-7 |
C_ID |
C00031216
,
|
InChIKey |
HGHNDJYLDQQDJJ-OWGHVYFZNA-N |
InChICode |
InChI=1S/C48H78O18/c1-21-31(54)34(57)37(66-42-38(35(58)33(56)26(18-49)63-42)65-40-36(59)32(55)24(51)19-61-40)41(62-21)64-30-11-12-45(6)27(44(30,4)5)10-13-46(7)39(45)25(60-9)14-22-23-15-43(2,3)28(52)17-48(23,20-50)29(53)16-47(22,46)8/h14,21,23-27,29-42,49-51,53-59H,10-13,15-20H2,1-9H3/t21-,23+,24-,25+,26-,27+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
SMILES |
C1(C(=O)C[C@]2([C@@H](C1)C1=C[C@@H]([C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(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)C)C)OC)CO)(C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apiaceae | Bupleurum rotundifolium | Ref. |
|
|
zoom in
Organism | Bupleurum rotundifolium | Reference | Fujioka,Chem.Pharm.Bull.,54,(2006),1694 |
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