Ergosta-5,7,9(11),22-tetraen-3beta-ol

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Ergosta-5,7,9(11),22-tetraen-3beta-ol

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Ergosta-5,7,9(11),22-tetraen-3beta-ol
First synonym: Dehydroergosterol
Synonyms: Dehydroergosterol,516-85-8,Ergosta-5,7,9(11),22-tetraen-3beta-ol,UNII-123R6KJQ51,delta(5,7,9(11)22)-Ergostatetraen-3-ol,123R6KJQ51,(3S,10S,13R,14R,17R)-17-[(E,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,9(11)-Dehydroergosterol,CHEBI:64762,ZINC5761088,LMST01031023,NCGC00485372-01,Ergosta-5,7,9(11),22-tetraen-3b-ol,ergosta-5,7,9(11),22-tetraen-3?-ol,(22E)-ergosta-5,7,9(11),22-tetraen-3beta-ol,(3beta,22E)-ergosta-5,7,9(11),22-tetraen-3-ol,Q27133411,Ergosta-5,7,9(11),22-tetraen-3-ol, (3.beta.,22E)-,Ergosta-5,7,9(11),22-tetraen-3-ol, (3beta,22E)-,Ergosta-5,7,9(11),22-tetraen-3beta-ol, ~96% (HPLC),(3S,10S,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CC=C3C2=CC=C4C3(CCC(C4)O)C)C
Isomeric 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
Inchi: InChI=1S/C28H42O/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/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1
Inchikey: QSVJYFLQYMVBDR-CMNOFMQQSA-N

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Fungi id	Species
587	Gibberella fujikuroi