| General Compound Information |
|
| BXGC Id |
BXGC0006276 |
| Compound Name |
Tigogenin |
| Structure |
 |
| Formula |
C27H44O3 |
| InchiKey |
GMBQZIIUCVWOCD-MFRNJXNGSA-N |
| SMILES |
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 |
| Inchi |
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| IUPAC |
(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,?.0?,?.013,1?]icosane]-16'-ol |
| Molecular Weight |
416.64 |
| Pubchem Id |
99516 |
| Chembl Id |
CHEMBL43871 |