Ergosta-4,6,8(14),22-tetraen-3-one

  • Formula: C28H40O

  • Molecular weight: 392.60

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C3CCC12C)C

Download

Ergosta-4,6,8(14),22-tetraen-3-one

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Ergosta-4,6,8(14),22-tetraen-3-one

  • First synonym: Ergosta-4,6,8(14),22-tetraen-3-one

  • Synonyms: Ergosta-4,6,8(14),22-tetraen-3-one,19254-69-4,UNII-RI51Y55U8P,Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-,RI51Y55U8P,(22E)-Ergosta-4,6,8(14),22-tetraen-3-one,(9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one,SCHEMBL6365010,CHEMBL3588948,CHEBI:69431,ZINC5761087,NSC785136,AKOS022184779,NSC-785136,W2324,(22E)-Ergosta-4,6,8(14),22-tetren-3-one,24-methylcholesta-4,6,8(14),22-tetraen-3-one,(22e,24r)-ergosta-4,6,8(14),22-tetraen-3-one,Q27104972

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C3CCC12C)C

  • Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C

  • Inchi: InChI=1S/C28H40O/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/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1

  • Inchikey: OIMXTYUHMBQQJM-HSVWHVBGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H40O

  • Molecular weight: 392.60

  • Monoisotopic mass: 392.307915895

Select an endpoint:

Select an endpoint:

Select an endpoint:

Select an endpoint:

Fungi