| Name |
Maesasaponin V3
(-)-Maesasaponin V3 |
| Formula |
C63H100O28 |
| Mw |
1304.64011261 |
| CAS RN |
259868-89-8 |
| C_ID |
C00039706
, 
|
| InChIKey |
KPEZNBZUAACYBV-NJGCCBOTNA-N |
| InChICode |
InChI=1S/C63H100O28/c1-11-13-34(67)85-49-48(89-51(79)25(3)12-2)57(4,5)21-31-62-19-15-30-59(8)17-16-33(58(6,7)29(59)14-18-60(30,9)61(62,10)22-32(66)63(31,49)56(81)91-62)84-55-47(82-27-20-26(23-64)35(68)38(71)36(27)69)44(43(76)45(87-55)50(77)78)86-54-46(40(73)37(70)28(24-65)83-54)88-53-42(75)39(72)41(74)52(80)90-53/h12,26-33,35-49,52-56,64-66,68-76,80-81H,11,13-24H2,1-10H3,(H,77,78)/b25-12-/t26-,27-,28-,29+,30-,31+,32-,33+,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/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CCC)C23[C@H](O)C[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](O)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O[C@@H]7C[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)(O[C@@H]2O)[C@@H]3CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Maesaceae | Maesa lanceolata  | Ref. |
|
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