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CHEBI:218659 - 5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-ol

ChEBI IDCHEBI:218659
ChEBI Name5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILESC/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C
InChIInChI=1S/C29H44O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h11,14-16,18,20-24,30H,8-10,12-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
InChIKeySYKHRTNFTAGHBY-PEADVQMASA-N
Species of MetaboliteComponentSourceComments
Rhizopusspecies (ncbitaxon:1914426) - PubMed (17900642)
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-ol (CHEBI:218659) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2R,5R,6R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
Manual XrefsDatabases
29213801ChemSpider