| General Compound Information |
|
| BXGC Id |
BXGC0024264 |
| Compound Name |
Ergosterol |
| Structure |
 |
| Formula |
C28H44O |
| InchiKey |
DNVPQKQSNYMLRS-APGDWVJJSA-N |
| SMILES |
O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C |
| Inchi |
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| IUPAC |
(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Molecular Weight |
396.34 |
| Pubchem Id |
444679 |
| Chembl Id |
CHEMBL1232562 |