| Name |
Brodiosaponin B
(-)-Brodiosaponin B |
| Formula |
C50H80O24 |
| Mw |
1064.50395349 |
| CAS RN |
190781-19-2 |
| C_ID |
C00050278
, 
|
| InChIKey |
BQVUNOGGHBCCLD-ACTNMELUNA-N |
| InChICode |
InChI=1S/C50H80O24/c1-16-14-66-50(43(64)40(16)71-45-38(62)35(59)31(55)18(3)67-45)17(2)30-26(74-50)11-23-22-8-7-20-9-21(52)10-29(48(20,5)24(22)12-28(54)49(23,30)6)70-47-42(73-46-39(63)36(60)32(56)19(4)68-46)41(34(58)27(13-51)69-47)72-44-37(61)33(57)25(53)15-65-44/h7,16-19,21-47,51-64H,8-15H2,1-6H3/t16-,17+,18-,19+,21-,22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)C)C[C@H]([C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@H]([C@@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)C)C)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Themidaceae | Brodiaea californica | Ref. |
|
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