| Name |
Mukurozisaponin X |
| Formula |
C53H86O22 |
| Mw |
1074.56107443 |
| CAS RN |
87733-77-5 |
| C_ID |
C00051654
|
| InChIKey |
BFLZUSQHUGHAMK-VCXHSCAWNA-N |
| InChICode |
InChI=1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)73-41-33(59)26(57)21-68-45(41)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-46-42(38(64)35(61)28(20-55)71-46)74-44-40(66)37(63)34(60)27(19-54)70-44/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Sapindus mukorossi  | Ref. |
|
|
zoom in
| Organism | Sapindus mukorossi |
|---|
| Reference | Kimata, et al., Chem Pharm Bull, 31, (1983), 1998 |
|---|
|
