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CHEBI:199300 - (22E, 24R)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol

ChEBI IDCHEBI:199300
ChEBI Name(22E, 24R)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESC/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C
InChIInChI=1S/C29H48O3/c1-17(2)20(5)18(3)14-19(4)23-8-9-24-22-15-26(31)29(32)16-21(30)10-13-28(29,7)25(22)11-12-27(23,24)6/h14-15,17,19-21,23-26,30-32H,8-13,16H2,1-7H3/b18-14+/t19-,20-,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKeyCZRJCGNHTAJYEV-JFEPHHBUSA-N
Species of MetaboliteComponentSourceComments
Amanita pantherina (ncbitaxon:67721) - DOI (10.1248/cpb.47.847)
ChEBI Ontology
Outgoing Relation(s)
(22E, 24R)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol (CHEBI:199300) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
8798542ChemSpider