| 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 |
C1[C@]2([C@H](C([C@H](C1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)OC)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Calendula officinalis |
|---|
| Reference | Ukiya,J.Nat.Prod.,69,(2006),1692 |
|---|
|
