| Name |
Maesasaponin IV3
(-)-Maesasaponin IV3 |
| Formula |
C62H98O28 |
| Mw |
1290.62446255 |
| CAS RN |
259868-87-6 |
| C_ID |
C00039704
, 
|
| InChIKey |
AYQWZFZYTDOVHR-MRBDDMETNA-N |
| InChICode |
InChI=1S/C62H98O28/c1-11-24(3)50(78)88-47-48(84-33(66)12-2)62-30(20-56(47,4)5)61(90-55(62)80)18-14-29-58(8)16-15-32(57(6,7)28(58)13-17-59(29,9)60(61,10)21-31(62)65)83-54-46(81-26-19-25(22-63)34(67)37(70)35(26)68)43(42(75)44(86-54)49(76)77)85-53-45(39(72)36(69)27(23-64)82-53)87-52-41(74)38(71)40(73)51(79)89-52/h11,25-32,34-48,51-55,63-65,67-75,79-80H,12-23H2,1-10H3,(H,76,77)/b24-11-/t25-,26-,27-,28+,29-,30+,31-,32+,34+,35+,36+,37+,38-,39+,40-,41-,42+,43+,44+,45+,46-,47+,48+,51+,52+,53+,54-,55+,58+,59-,60+,61+,62-/m1/s1 |
| SMILES |
[C@@H]1(O)[C@@]23[C@@H](CC([C@H]([C@@H]2OC(=O)CC)OC(=O)/C(=C\C)/C)(C)C)[C@@]2([C@@](C[C@H]3O)([C@]3([C@H](CC2)[C@@]2([C@@H](CC3)C([C@H](CC2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@H]([C@H](C2)CO)O)O)O)O[C@H]2[C@@H](O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)O)O)O)O)[C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)(C)C)C)C)C)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Maesaceae | Maesa lanceolata  | Ref. |
|
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