| Name |
Calendulaglycoside A 6'-O-methyl ester
(+)-Calendulaglycoside A 6'-O-methyl ester |
| Formula |
C55H88O24 |
| Mw |
1132.56655374 |
| CAS RN |
178460-20-3 |
| C_ID |
C00041407
, 
|
| InChIKey |
DQGMAYONHHBQRD-UUOUNIJQNA-N |
| InChICode |
InChI=1S/C55H88O24/c1-50(2)15-17-55(49(70)79-47-39(67)36(64)33(61)27(22-58)74-47)18-16-53(6)23(24(55)19-50)9-10-29-52(5)13-12-30(51(3,4)28(52)11-14-54(29,53)7)75-48-43(78-46-38(66)35(63)32(60)26(21-57)73-46)41(40(68)42(77-48)44(69)71-8)76-45-37(65)34(62)31(59)25(20-56)72-45/h9,24-43,45-48,56-68H,10-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,45-,46-,47-,48-,52-,53+,54+,55-/m0/s1 |
| SMILES |
COC(=O)[C@H]1OC(O[C@H]2CC[C@]3(C)[C@H]4CC=C5[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)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
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