CHEBI:202219 - 5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-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 5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-3beta-ol
ChEBI ID CHEBI:202219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O2
Net Charge 0
Average Mass 412.658
Monoisotopic Mass 412.33413
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey KVMYKLHJBYIOKD-QYYFJRRUSA-N
SMILES O1[C@]23[C@@]([C@H]4CC[C@]5([C@H](C4=C[C@H]12)CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)(CC[C@@H](C3)O)C
Metabolite of Species Details
Daedaleopsis tricolor (NCBI:txid76330) See: DOI
ChEBI Ontology
Outgoing 5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-3beta-ol (CHEBI:202219) is a ergostanoid (CHEBI:50403)
IUPAC Name
(1S,2R,5S,7R,9S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
Manual Xref Database
78442540 ChemSpider
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