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CHEBI:205382 - 24-ethylcholesta-7,22E-diene-3beta,5alpha,6beta-triol

ChEBI IDCHEBI:205382
ChEBI Name24-ethylcholesta-7,22E-diene-3beta,5alpha,6beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESCCC(/C=C/C(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(C)C
InChIInChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-32H,7,10-15,17H2,1-6H3/b9-8+/t19?,20?,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKeyMNFRCFZQRZZFOY-FYPCCSFISA-N
Species of MetaboliteComponentSourceComments
Russula brevipes (ncbitaxon:98861) - DOI (10.1016/s0031-9422(97)00121-0)
ChEBI Ontology
Outgoing Relation(s)
24-ethylcholesta-7,22E-diene-3beta,5alpha,6beta-triol (CHEBI:205382) has parent hydride stigmastane (CHEBI:26773)
24-ethylcholesta-7,22E-diene-3beta,5alpha,6beta-triol (CHEBI:205382) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
78440215ChemSpider