| Name |
Sandrosaponin III
(+)-Sandrosaponin III |
| Formula |
C48H76O23S |
| Mw |
1052.44980947 |
| CAS RN |
308358-85-2 |
| C_ID |
C00037785
, 
|
| InChIKey |
UTCQBPCYERIKAV-QWBQAOEGNA-N |
| InChICode |
InChI=1S/C48H76O23S/c1-21-29(53)36(69-39-34(58)32(56)35(23(18-50)67-39)71-72(61,62)63)37(70-38-33(57)31(55)30(54)22(17-49)66-38)40(65-21)68-28-9-10-43(3)24(44(28,4)19-51)7-11-45(5)25(43)8-12-48-26-15-42(2,41(59)60)13-14-47(26,20-64-48)27(52)16-46(45,48)6/h8,12,21-40,49-58H,7,9-11,13-20H2,1-6H3,(H,59,60)(H,61,62,63)/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)C(=O)O)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. |
|
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