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) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Asteraceae | Calendula officinalis | Ref. |
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zoom in
Organism | Calendula officinalis | Reference | Yoshikawa,Chem.Pharm.Bull.,49,(2001),863 |
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