| Name |
Maesasaponin VI3
(-)-Maesasaponin VI3 |
| Formula |
C65H102O29 |
| Mw |
1346.6506773 |
| CAS RN |
259869-30-2 |
| C_ID |
C00039708
, 
|
| InChIKey |
MWCZTRNYCQBDPZ-MTQOHXKGNA-N |
| InChICode |
InChI=1S/C65H102O29/c1-12-14-36(69)88-51-50(92-53(81)26(3)13-2)59(5,6)22-33-64-20-16-32-61(9)18-17-34(60(7,8)31(61)15-19-62(32,10)63(64,11)23-35(84-27(4)68)65(33,51)58(83)94-64)87-57-49(85-29-21-28(24-66)37(70)40(73)38(29)71)46(45(78)47(90-57)52(79)80)89-56-48(42(75)39(72)30(25-67)86-56)91-55-44(77)41(74)43(76)54(82)93-55/h13,28-35,37-51,54-58,66-67,70-78,82-83H,12,14-25H2,1-11H3,(H,79,80)/b26-13-/t28-,29-,30-,31+,32-,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45+,46+,47+,48-,49-,50+,51+,54-,55-,56+,57-,58+,61+,62-,63+,64+,65-/m1/s1 |
| SMILES |
[C@@H]1(O)[C@@]23[C@@H](CC([C@H]([C@@H]2OC(=O)CCC)OC(=O)/C(=C/C)/C)(C)C)[C@@]2([C@@](C[C@H]3OC(=O)C)([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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