| Name |
Maesasaponin I
(-)-Maesasaponin I |
| Formula |
C59H94O27 |
| Mw |
1234.5982478 |
| CAS RN |
259868-36-5 |
| C_ID |
C00039700
, 
|
| InChIKey |
MBNRNSOZEOTBEP-OQGNHZGTNA-N |
| InChICode |
InChI=1S/C59H94O27/c1-10-22(2)47(75)84-45-44(72)59-28(18-53(45,3)4)58(86-52(59)77)16-12-27-55(7)14-13-30(54(5,6)26(55)11-15-56(27,8)57(58,9)19-29(59)62)80-51-43(78-24-17-23(20-60)31(63)34(66)32(24)64)40(39(71)41(82-51)46(73)74)81-50-42(36(68)33(65)25(21-61)79-50)83-49-38(70)35(67)37(69)48(76)85-49/h10,23-45,48-52,60-72,76-77H,11-21H2,1-9H3,(H,73,74)/b22-10-/t23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44+,45+,48-,49-,50+,51-,52+,55+,56-,57+,58+,59-/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]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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