| Name |
Mussaendoside U |
| Formula |
C72H115NO32 |
| Mw |
1505.74022059 |
| CAS RN |
194150-40-8 |
| C_ID |
C00058614
|
| InChIKey |
SWDLROQBTZGBCL-FJGQGNJBSA-N |
| InChICode |
InChI=1S/C72H115NO32/c1-27(12-11-13-28(2)60(91)73-41-29(3)30(4)94-61(41)92)33-16-18-70(10)39-15-14-38-68(7,8)40(17-19-71(38)26-72(39,71)21-20-69(33,70)9)101-66-59(55(90)56(36(24-76)99-66)102-62-52(87)47(82)42(77)31(5)95-62)105-67-58(104-63-53(88)48(83)43(78)32(6)96-63)51(86)46(81)37(100-67)25-93-65-57(50(85)45(80)35(23-75)98-65)103-64-54(89)49(84)44(79)34(22-74)97-64/h11-13,27,29-59,62-67,74-90H,14-26H2,1-10H3,(H,73,91)/b12-11+,28-13+/t27-,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-,54-,55+,56-,57-,58-,59-,62+,63+,64+,65-,66+,67+,69-,70+,71-,72+/m1/s1 |
| SMILES |
C/C(=CC=C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Mussaenda pubescens  | Ref. |
|
|
zoom in
| Organism | Mussaenda pubescens |
|---|
| Reference | W. Zhao et al., Chem. Abs., 127, (1997), 173828. |
|---|
|
