| Name |
Neomacrostemonoside D |
| Formula |
C53H86O24 |
| Mw |
1106.55090368 |
| CAS RN |
226713-77-5 |
| C_ID |
C00057267
|
| InChIKey |
UMJXUWDTBAXFNN-BJUBRSQSSA-N |
| InChICode |
InChI=1S/C53H86O24/c1-21-8-13-53(68-19-21)22(2)34-29(77-53)15-28-26-7-6-24-14-25(9-11-51(24,4)27(26)10-12-52(28,34)5)69-47-43(66)40(63)44(32(18-56)72-47)74-50-46(76-49-42(65)39(62)36(59)31(17-55)71-49)45(37(60)33(73-50)20-67-23(3)57)75-48-41(64)38(61)35(58)30(16-54)70-48/h21-22,24-50,54-56,58-66H,6-20H2,1-5H3/t21-,22-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46+,47+,48-,49-,50-,51-,52-,53+/m0/s1 |
| SMILES |
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]6[C@H](C[C@@H]54)O[C@]4(CC[C@H](C)CO4)[C@H]6C)C3)O[C@@H]2CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium chinense  | Ref. |
|
|
zoom in
| Organism | Allium chinense |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 3, 564A (nmr) |
|---|
|
