Dehydroergosterol
(3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Dehydroergosterol|Ergosta-5,7,9(11),22-tetren-3beta-ol|Ergosta-5,7,9(11),22-tetraen-3beta-ol|(1R,3aR,7S,9aS,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C28H42O |
|---|---|
| Molecular Weight | 394.32358 g/mol |
| LogP | 7.25 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.32358 |
| Heavy Atoms | 29 |
| Complexity | 765.2 |
Chemical Identifiers
| CAS Number | 516-85-8 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
Dehydroergosterol (CAS 516-85-8), with molecular formula C28H42O and molecular weight 394.32358 g/mol. IUPAC: (3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol.
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