| Name |
AS 1 |
| Formula |
C44H72O17 |
| Mw |
872.47695088 |
| CAS RN |
131622-60-1 |
| C_ID |
C00053945
|
| InChIKey |
KCJCMMKXYAIXFR-QMILVOOLSA-N |
| InChICode |
InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+/m0/s1 |
| SMILES |
C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4(OC[C@@H](C)CC4)O3)[C@]([C@]5([H])CC1)([H])CC[C@]([C@]5(C)CC6)([H])C[C@H]6O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@@H](CO)O7 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
|
|
zoom in
| Organism | Asparagus officinalis |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 3, 564A (nmr) |
|---|
|
