| Name |
Maesasaponin II
(-)-Maesasaponin II |
| Formula |
C61H96O28 |
| Mw |
1276.60881249 |
| CAS RN |
259868-37-6 |
| C_ID |
C00039701
, 
|
| InChIKey |
RVIMFHKLYAESDQ-HJNQOYOQNA-N |
| InChICode |
InChI=1S/C61H96O28/c1-11-23(2)49(77)87-47-46(74)61-30(19-55(47,4)5)60(89-54(61)79)17-13-29-57(8)15-14-31(56(6,7)28(57)12-16-58(29,9)59(60,10)20-32(61)80-24(3)64)83-53-45(81-26-18-25(21-62)33(65)36(68)34(26)66)42(41(73)43(85-53)48(75)76)84-52-44(38(70)35(67)27(22-63)82-52)86-51-40(72)37(69)39(71)50(78)88-51/h11,25-47,50-54,62-63,65-74,78-79H,12-22H2,1-10H3,(H,75,76)/b23-11-/t25-,26-,27-,28+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38+,39-,40-,41+,42+,43+,44-,45-,46+,47+,50-,51+,52-,53-,54+,57+,58-,59+,60+,61-/m1/s1 |
| SMILES |
[C@@H]1(O)[C@@]23[C@@H](CC([C@H]([C@@H]2O)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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