| Name |
Emarginatine D
(+)-Emarginatine |
| Formula |
C41H48N2O18 |
| Mw |
856.29021275 |
| CAS RN |
156280-97-6 |
| C_ID |
C00028241
, 
|
| InChIKey |
GEQVEDBUJSREGY-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)31(49)40(17-54-20(3)44)34(58-23(6)47)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19+,27+,29-,30+,31-,32-,33-,34+,38-,39+,40-,41-/m1/s1 |
| SMILES |
CC(=O)OCC12C(O)C(OC(=O)c3ccc(=O)n(C)c3)C3OC(=O)C(C)C(C)c4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus emarginata | Ref. |
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