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CHEBI:215867 - Ergosta-4,6,8,22E-tetraen-11beta-OL

ChEBI IDCHEBI:215867
ChEBI NameErgosta-4,6,8,22E-tetraen-11beta-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O
Net Charge0
Average Mass394.643
Monoisotopic Mass394.32357
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CCCC=C1C=C3
InChIInChI=1S/C28H42O/c1-18(2)19(3)10-11-20(4)23-14-15-24-22-13-12-21-9-7-8-16-27(21,5)26(22)25(29)17-28(23,24)6/h9-13,18-20,23-25,29H,7-8,14-17H2,1-6H3/b11-10+/t19-,20+,23+,24?,25+,27-,28+/m0/s1
InChIKeyBAYDLJAVVXZGLI-ASAQPYPSSA-N
Species of MetaboliteComponentSourceComments
Parasola setulosa (ncbitaxon:979887) - DOI (10.1007/s10600-018-2451-7)
ChEBI Ontology
Outgoing Relation(s)
Ergosta-4,6,8,22E-tetraen-11beta-OL (CHEBI:215867) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(10S,11R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-11-ol