| Name |
Maesasaponin III
(-)-Maesasaponin III |
| Formula |
C61H96O28 |
| Mw |
1276.60881249 |
| CAS RN |
259868-38-7 |
| C_ID |
C00039702
, 
|
| InChIKey |
RHZMITVCFZXLDN-LHKXXSRUNA-N |
| InChICode |
InChI=1S/C61H96O28/c1-11-23(2)49(77)87-46-47(80-24(3)64)61-30(19-55(46,4)5)60(89-54(61)79)17-13-29-57(8)15-14-32(56(6,7)28(57)12-16-58(29,9)59(60,10)20-31(61)65)83-53-45(81-26-18-25(21-62)33(66)36(69)34(26)67)42(41(74)43(85-53)48(75)76)84-52-44(38(71)35(68)27(22-63)82-52)86-51-40(73)37(70)39(72)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/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C23[C@H](O)C[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](O)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O[C@@H]7C[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)(O[C@@H]2O)[C@@H]3CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Maesaceae | Maesa lanceolata  | Ref. |
|
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