EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219014 - 5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL

ChEBI IDCHEBI:219014
ChEBI Name5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILESC/C(=C\[C@@H](C)C1CCC2[C@]1(C)CCC1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C
InChIInChI=1S/C29H46O3/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/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23?,24?,25?,26-,27-,28-,29+/m1/s1
InChIKeyBEFYGZGLHDYVIF-DPXMGVADSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1007/bf02978830)
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL (CHEBI:219014) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,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]nonadec-18-en-13-ol