| Name |
Aquilegioside C |
| Formula |
C49H80O20 |
| Mw |
988.524295 |
| CAS RN |
640722-46-9 |
| C_ID |
C00029707
, 
|
| InChIKey |
YBGCHKJKBSHMQJ-FZDLASAMNA-N |
| InChICode |
InChI=1S/C49H80O20/c1-21(18-63-41-37(60)34(57)31(54)25(15-50)64-41)23(53)14-24-22(2)40-45(5)12-13-48-20-47(48)11-10-30(44(3,4)28(47)8-9-29(48)46(45,6)19-49(40,62-7)69-24)67-43-39(36(59)33(56)27(17-52)66-43)68-42-38(61)35(58)32(55)26(16-51)65-42/h21-22,24-43,50-52,54-61H,8-20H2,1-7H3/t21-,22+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,45+,46-,47+,48-,49-/m0/s1 |
| SMILES |
CO[C@]12C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](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@@]56C[C@@]46CC[C@]3(C)C1[C@H](C)[C@H](CC(=O)C(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aquilegia vulgaris L  | Ref. |
|
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