CHEBI:173028 - 24S,28S-epoxystigmast-5-en-3beta-ol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24S,28S-epoxystigmast-5-en-3beta-ol
ChEBI ID CHEBI:173028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H48O2
Net Charge 0
Average Mass 428.701
Monoisotopic Mass 428.36543
InChI InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey XUBCLKHKJZCPFZ-WGLRHWGRSA-N
SMILES O1[C@](CC[C@H]([C@@]2([C@@]3([C@]([C@]4([C@@]([C@@]5(C(=CC4)C[C@@H](O)CC5)C)(CC3)[H])[H])(CC2)[H])C)[H])C)([C@@H]1C)C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 24S,28S-epoxystigmast-5-en-3beta-ol (CHEBI:173028) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(2S,3S)-3-methyl-2-propan-2-yloxiran-2-yl]butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
166211 ChemSpider
LMST01040168 LIPID MAPS
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Registry Number Type Source
55870-01-4 CAS Registry Number ChemIDplus