| Name |
Sandrosaponin IV
(+)-Sandrosaponin IV |
| Formula |
C48H76O24S |
| Mw |
1068.44472409 |
| CAS RN |
308358-84-1 |
| C_ID |
C00037786
, 
|
| InChIKey |
CSRCIYUDELHALE-CRXWZBDQNA-N |
| InChICode |
InChI=1S/C48H76O24S/c1-21-29(54)36(70-39-34(59)32(57)35(23(17-50)68-39)72-73(62,63)64)37(71-38-33(58)31(56)30(55)22(16-49)67-38)40(66-21)69-28-8-9-42(2)24(43(28,3)18-51)6-10-44(4)25(42)7-11-48-26-14-46(19-52,41(60)61)12-13-47(26,20-65-48)27(53)15-45(44,48)5/h7,11,21-40,49-59H,6,8-10,12-20H2,1-5H3,(H,60,61)(H,62,63,64)/t21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40+,42+,43+,44-,45+,46+,47-,48?/m1/s1 |
| SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@@]3(C=C1)[C@H]1[C@@]([C@H](C2)O)(CC[C@@](C1)(C(=O)O)CO)CO3)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OS(=O)(=O)O)CO)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum L. | Ref. |
|
|
zoom in
|
