| Name |
Aquifoliunine E-IV |
| Formula |
C42H48N2O18 |
| Mw |
868.29021275 |
| CAS RN |
220751-22-4 |
| C_ID |
C00027890
, 
|
| InChIKey |
WYGMSWSZNDHDMQ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20+,28-,30-,31+,32-,33-,34-,35+,39-,40+,41-,42+/m1/s1 |
| SMILES |
O(C(=O)C)[C@@H]1[C@@H]2[C@]3(COC(=O)c4c(nccc4)[C@@H]([C@@H](C(=O)O[C@@H]4[C@@H]([C@@H]([C@@]([C@@H]([C@@H]2OC(=O)c2cnccc2)OC(=O)C)([C@@]1(O3)[C@@]4(C)O)COC(=O)C)OC(=O)C)OC(=O)C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp IPP L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus aquifolium | Ref. |
|
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