Ergosterol

Details

Name

Ergosterol

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for #<SmallMolecule:0x00007feef32080c0>

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Formula

C28H44O

Average Molecular Weight

396.659 g/mol

Monoisotopic Weight

396.339216037 g/mol

IUPAC Traditional name

ergosterol

IUPAC name

(1R,3aR,7S,9aR,9bS,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

InChI Key

DNVPQKQSNYMLRS-APGDWVJJSA-N

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

SMILES

[H]\C(=C(\[H])[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@]([H])(C)C(C)C

Drug Relations

Drug Relations

DrugBank ID	Name	Drug group	Pharmacological action?	Actions	Details