| Name |
Maesasaponin IV2
(-)-Maesasaponin IV2 |
| Formula |
C63H98O29 |
| Mw |
1318.61937717 |
| CAS RN |
259868-68-3 |
| C_ID |
C00039703
, 
|
| InChIKey |
UCVZGFUSGKVCEZ-ADESBOBENA-N |
| InChICode |
InChI=1S/C63H98O29/c1-12-24(2)51(79)90-48-49(83-26(4)67)63-32(20-57(48,5)6)62(92-56(63)81)18-14-31-59(9)16-15-33(58(7,8)30(59)13-17-60(31,10)61(62,11)21-34(63)82-25(3)66)86-55-47(84-28-19-27(22-64)35(68)38(71)36(28)69)44(43(76)45(88-55)50(77)78)87-54-46(40(73)37(70)29(23-65)85-54)89-53-42(75)39(72)41(74)52(80)91-53/h12,27-49,52-56,64-65,68-76,80-81H,13-23H2,1-11H3,(H,77,78)/b24-12-/t27-,28-,29-,30+,31-,32+,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,52-,53-,54+,55-,56+,59+,60-,61+,62+,63-/m1/s1 |
| SMILES |
[C@@H]1(O)[C@@]23[C@@H](CC([C@H]([C@@H]2OC(=O)C)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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