| Name |
Calenduloside B |
| Formula |
C48H78O18 |
| Mw |
942.51881569 |
| CAS RN |
34381-98-1 |
| C_ID |
C00054777
|
| InChIKey |
NAIMCEFAGOEXSH-PWVHTFILSA-N |
| InChICode |
InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24-,25-,26-,27?,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,45+,46-,47-,48+/m1/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](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)[C@@H](CO)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) |
|---|
|
