| 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/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC)C23[C@@H](CC1(C)C)[C@]1(CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](O)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6C[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)C[C@H]2OC(C)=O)O[C@@H]3O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Maesaceae | Maesa lanceolata  | Ref. |
|
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