| Name |
Calenduloside H methyl ester |
| Formula |
C49H78O19 |
| Mw |
970.51373031 |
| CAS RN |
155740-14-0 |
| C_ID |
C00054778
|
| InChIKey |
FBNHNCMZFHURCE-IGKQOAJFSA-N |
| InChICode |
InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-34(57)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-36(59)37(35(58)38(67-42)39(60)62-8)66-40-33(56)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,40-,41-,42+,46-,47+,48+,49-/m0/s1 |
| SMILES |
[H][C@@]1(C2=CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](C(OC)=O)O5)C(C)(C)[C@]4([H])CC[C@]37C)CC(C)(C)CC[C@]1(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)=O)CC[C@]27C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Calendula officinalis |
|---|
| Reference | Kochetkov, N.K. et al., Izv. Akad. Nauk SSSR, Ser. Khim., 1963, 1398 (Aralosides) |
|---|
|
