| Name |
Pursaethoside E
(-)-Pursaethoside E |
| Formula |
C70H113NO36 |
| Mw |
1543.70422901 |
| CAS RN |
865364-27-8 |
| C_ID |
C00042896
, 
|
| InChIKey |
KMBUADDGQZAVSV-YYZTVOIFNA-N |
| InChICode |
InChI=1S/C70H113NO36/c1-27(76)71-38-48(104-57-45(85)40(80)31(78)21-95-57)42(82)34(22-96-56-44(84)39(79)30(77)20-94-56)101-55(38)102-37-12-13-65(6)35(64(37,4)5)11-14-66(7)36(65)10-9-28-29-17-63(2,3)15-16-70(29,52(88)51(87)67(28,66)8)62(91)107-59-50(106-61-54(90)69(93,24-75)26-98-61)49(105-60-53(89)68(92,23-74)25-97-60)47(33(19-73)100-59)103-58-46(86)43(83)41(81)32(18-72)99-58/h9,29-61,72-75,77-90,92-93H,10-26H2,1-8H3,(H,71,76)/t29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40-,41+,42+,43-,44+,45+,46+,47+,48+,49-,50+,51-,52+,53-,54-,55-,56+,57-,58-,59-,60-,61-,65-,66+,67-,68+,69+,70+/m0/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@]([C@H]1O)(O)CO)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg Cholesterol |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Entada pursaetha | Ref. |
|
|
zoom in
| Organism | Entada pursaetha |
|---|
| Reference | Leon,J.Nat.Prod.,68,(2005),1185 |
|---|
|
