CHEBI:197700 - 5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-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,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-ol
ChEBI ID CHEBI:197700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O3
Net Charge 0
Average Mass 430.673
Monoisotopic Mass 430.34470
InChI InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,18-24,29H,9-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey DPGGKQMEXXPPJG-KGHQQZOUSA-N
SMILES O1O[C@@]23[C@@](CC[C@@H](C2)O)(C)[C@@H]4[C@@]1([C@H]5[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC5)(C)CC4)CC3
Metabolite of Species Details
Gloeophyllum odoratum (NCBI:txid139427) See: DOI
ChEBI Ontology
Outgoing 5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-ol (CHEBI:197700) is a ergostanoid (CHEBI:50403)
IUPAC Name
(1S,2R,5R,6R,9R,10R,13S,15R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadecan-13-ol
Manual Xref Database
78442437 ChemSpider
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