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CHEBI:215102 - (22E,24R)-9alpha,11alpha-epoxyergosta-7,22-diene-3beta,5alpha,6alpha-triol

ChEBI IDCHEBI:215102
ChEBI Name(22E,24R)-9alpha,11alpha-epoxyergosta-7,22-diene-3beta,5alpha,6alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)[C@@H](C)/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@]34O[C@@H]4C[C@]12C
InChIInChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-22-13-23(30)27(31)14-19(29)11-12-26(27,6)28(22)24(32-28)15-25(20,21)5/h7-8,13,16-21,23-24,29-31H,9-12,14-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,23-,24+,25+,26-,27-,28-/m0/s1
InChIKeySDAUBJULDMHGMU-OUQPPKSBSA-N
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-9alpha,11alpha-epoxyergosta-7,22-diene-3beta,5alpha,6alpha-triol (CHEBI:215102) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,2S,5S,7R,8S,11R,14R,15R,17R)-14-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-9-ene-5,7,8-triol