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Ergost-5-en-3beta-ol

  • Formula: C28H48O

  • Molecular weight: 400.70

  • Smiles: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

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Ergost-5-en-3beta-ol

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

  • Mycotoxin name: Ergost-5-en-3beta-ol

  • First synonym: 22,23-dihydrobrassicasterol

  • Synonyms: 22,23-Dihydrobrassicasterol,24-epicampesterol,Ergost-5-en-3beta-ol,4651-51-8,Dihydrobrassicasterol,(3beta)-ergost-5-en-3-ol,(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,CHEBI:19809,22-Dihydrobrassicasterol,24-epi-campesterol,474-62-4,Ergost-5-en-3-beta-ol,(24S)-beta-Methyl cholesterol,Ergost-5-en-3-ol, (3beta)-,Delta5-campesterol,Campesterol, ~65%,22-Dihydrobrassicosterol,1-Propanol, 99.9%,delta22-Dihydrobrassicasterol,CHEMBL485421,SCHEMBL3341194,2-Ammonio-2-phenylpent-4-enoate,24-methyl-5-cholestene-3beta-ol,DTXSID501016075,(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol,ZINC6569100,LMST01030096,(24S)-methylcholest-5-en-3beta-ol,AKOS030531948,Q27109255

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

  • Isomeric smiles: C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

  • Inchi: InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

  • Inchikey: SGNBVLSWZMBQTH-ZRUUVFCLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H48O

  • Molecular weight: 400.70

  • Monoisotopic mass: 400.37051615

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