CHEBI:218659 - 5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-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 5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-ol
ChEBI ID CHEBI:218659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O3
Net Charge 0
Average Mass 440.668
Monoisotopic Mass 440.32905
InChI InChI=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
InChIKey SYKHRTNFTAGHBY-PEADVQMASA-N
SMILES O1O[C@@]23C=C[C@]14C(=CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)C)[C@]2(CC[C@@H](C3)O)C
Metabolite of Species Details
Rhizopusspecies (NCBI:txid1914426) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
29213801 ChemSpider
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