| Name |
Calendasaponin B
(+)-Calendasaponin B |
| Formula |
C48H76O20 |
| Mw |
972.49299487 |
| CAS RN |
358743-43-8 |
| C_ID |
C00032796
, 
|
| InChIKey |
BJTHWJWOVXDFCA-HXIMMMSNNA-N |
| InChICode |
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h18,21,23-37,39-41,49-58H,8-17,19-20H2,1-7H3,(H,59,60)/t21-,23-,24-,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1 |
| SMILES |
C1(CC[C@]2(C(=C1)[C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@]1([C@@H](CC2)C([C@H](CC1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O)(C)C)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Calendula officinalis |
|---|
| Reference | Yoshikawa,Chem.Pharm.Bull.,49,(2001),863 |
|---|
|
