| Name |
Maesasaponin V2 |
| Formula |
C64H100O29 |
| Mw |
1332.63502724 |
| CAS RN |
259868-88-7 |
| C_ID |
C00039705
, 
|
| InChIKey |
SNCZMJFZWCCNIJ-UBOXBWMGNA-N |
| InChICode |
InChI=1S/C64H100O29/c1-12-25(3)52(80)91-49-50(87-35(68)13-2)64-32(21-58(49,5)6)63(93-57(64)82)19-15-31-60(9)17-16-33(59(7,8)30(60)14-18-61(31,10)62(63,11)22-34(64)83-26(4)67)86-56-48(84-28-20-27(23-65)36(69)39(72)37(28)70)45(44(77)46(89-56)51(78)79)88-55-47(41(74)38(71)29(24-66)85-55)90-54-43(76)40(73)42(75)53(81)92-54/h12,27-34,36-50,53-57,65-66,69-77,81-82H,13-24H2,1-11H3,(H,78,79)/b25-12-/t27-,28-,29-,30+,31-,32+,33+,34-,36+,37+,38+,39+,40-,41+,42+,43-,44+,45+,46+,47-,48-,49+,50+,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)CC)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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