| Name |
Officinalisnin II |
| Formula |
C50H84O23 |
| Mw |
1052.54033899 |
| CAS RN |
57944-19-1 |
| C_ID |
C00057451
|
| InChIKey |
TUDCHFPLNJLAIG-MFPWYVORSA-N |
| InChICode |
InChI=1S/C50H84O23/c1-20(18-65-44-39(61)36(58)34(56)29(15-51)68-44)7-12-50(64)21(2)32-28(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)67-47-43(72-46-40(62)37(59)35(57)30(16-52)69-46)41(63)42(31(17-53)70-47)71-45-38(60)33(55)27(54)19-66-45/h20-47,51-64H,5-19H2,1-4H3/t20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41?,42+,43+,44+,45-,46-,47+,48-,49-,50+/m0/s1 |
| SMILES |
C[C@H](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)CC[C@]2(O)[C@H]([C@@]3([H])[C@](O2)([H])C[C@@]4([H])[C@]([C@]5([H])CC[C@@]43C)([H])CC[C@]6([H])C[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)C(O)[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](O7)CO)CC[C@@]65C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
|
|
zoom in
| Organism | Asparagus officinalis |
|---|
| Reference | Tschesche, R. et al., Chem. Ber., 1969, 102, 1253-1269
1972, 105, 3397-3406 (Sarsaparilloside, Lanatigoside) |
|---|
|
