| Name |
Maesasaponin VI2
(-)-Maesasaponin VI2 |
| Formula |
C64H100O28 |
| Mw |
1316.64011261 |
| CAS RN |
259869-05-1 |
| C_ID |
C00039707
, 
|
| InChIKey |
AEUKFDQJJIXMHD-SWNXHRCRNA-N |
| InChICode |
InChI=1S/C64H100O28/c1-12-25(3)51(79)89-48-49(90-52(80)26(4)13-2)64-32(21-58(48,5)6)63(92-57(64)82)19-15-31-60(9)17-16-34(59(7,8)30(60)14-18-61(31,10)62(63,11)22-33(64)67)85-56-47(83-28-20-27(23-65)35(68)38(71)36(28)69)44(43(76)45(87-56)50(77)78)86-55-46(40(73)37(70)29(24-66)84-55)88-54-42(75)39(72)41(74)53(81)91-54/h12-13,27-49,53-57,65-76,81-82H,14-24H2,1-11H3,(H,77,78)/b25-12-,26-13-/t27-,28-,29-,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,53-,54-,55+,56-,57-,60+,61-,62+,63+,64-/m1/s1 |
| SMILES |
[C@H]1(O)[C@@]23[C@@H](CC([C@H]([C@@H]2OC(=O)/C(=C\C)/C)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. |
| Plantae | Maesaceae | Maesa perlarius | Ref. |
|
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