Name |
Marianoside A |
Formula |
C37H62O8 |
Mw |
634.44446896 |
CAS RN |
886437-20-3 |
C_ID |
C00030739
,
|
InChIKey |
BQSKVEDRDUPKAI-VASVFGNKNA-N |
InChICode |
InChI=1S/C37H62O8/c1-21(9-10-22(2)33(3,4)43)23-13-17-37(8)25-11-12-27-34(5,24(25)14-18-36(23,37)7)16-15-28(35(27,6)20-39)45-32-31(42)30(41)29(40)26(19-38)44-32/h21,23,26-32,38-43H,2,9-20H2,1,3-8H3/t21-,23-,26-,27-,28+,29-,30+,31-,32+,34+,35+,36-,37+/m1/s1 |
SMILES |
C1[C@@H]([C@@]([C@H]2[C@@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H](C)CCC(=C)C(C)(C)O)C)C)C)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Asteraceae | Silybum marianum GAERTH | Ref. |
|
|
zoom in
|