| Name |
Sandrosaponin X
(+)-Sandrosaponin X |
| Formula |
C48H76O19 |
| Mw |
956.49808025 |
| CAS RN |
303953-50-6 |
| C_ID |
C00046895
, 
|
| InChIKey |
PPXSTGDJSPLJCV-RRRPRNBNNA-N |
| InChICode |
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)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)64-41-37(33(56)32(55)35(65-41)38(58)59)67-40-36(31(54)29(52)24(20-50)63-40)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22-,23+,24+,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)O)O)C(=O)O)C)C)C(=O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum | Ref. |
|
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