| Name |
Baptisiasaponin I |
| Formula |
C47H76O16 |
| Mw |
896.51333638 |
| CAS RN |
213020-37-2 |
| C_ID |
C00044105
, 
|
| InChIKey |
AVJNWIDNAJCPRK-ATWFAZAENA-N |
| InChICode |
InChI=1S/C47H76O16/c1-21-29(50)31(52)34(55)39(59-21)62-36-30(51)24(48)20-58-40(36)63-37-33(54)32(53)35(38(56)57)61-41(37)60-28-13-14-45(7)25(43(28,4)5)12-15-47(9)26(45)11-10-22-23-18-42(2,3)19-27(49)44(23,6)16-17-46(22,47)8/h10,21,23-37,39-41,48-55H,11-20H2,1-9H3,(H,56,57)/t21-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44+,45-,46+,47+/m0/s1 |
| SMILES |
C1(C[C@H]([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]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)C(=O)O)C)C)C)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Baptisia australis | Ref. |
|
|
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