| Name |
Enanderinanin J
(-)-Enanderinanin J |
| Formula |
C44H56O14 |
| Mw |
808.3670065 |
| CAS RN |
476677-49-3 |
| C_ID |
C00039108
, 
|
| InChIKey |
WSLVTMUJVXHIIJ-XELLHIBANA-N |
| InChICode |
InChI=1S/C44H56O14/c1-17(45)52-22-15-20-19-9-14-40(56-31(19)41-24(22)38-12-7-10-36(3,4)26(38)28(47)43(41,50)57-34(38)54-30(20)41)21-16-23(53-18(2)46)25-39-13-8-11-37(5,6)27(39)29(48)44(51)42(25,33(40)49)32(21)55-35(39)58-44/h20-30,32,34-35,47-48,50-51H,7-16H2,1-6H3/t20-,21+,22-,23-,24-,25-,26+,27+,28-,29-,30-,32-,34-,35-,38+,39+,40-,41+,42+,43+,44+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@H]4O[C@]5(O)[C@@H](O)[C@@H]6C(C)(C)CCC[C@]46[C@H]1[C@]35C(=O)[C@]21CCC2=C(O1)[C@@]13[C@H]4O[C@H]5O[C@]1(O)[C@@H](O)[C@@H]1C(C)(C)CCC[C@]51[C@@H]3[C@@H](OC(C)=O)C[C@@H]24 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon xerophilus | Ref. |
|
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