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CHEBI:203854 - 7-dehydroporiferasterol peroxide

ChEBI IDCHEBI:203854
ChEBI Name7-dehydroporiferasterol peroxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILESCC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)C(C)C
InChIInChI=1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,16-17,19-25,30H,7,10-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1
InChIKeyJCLCRSATHUBFEO-LAWYILJMSA-N
Species of MetaboliteComponentSourceComments
Daedaleopsis tricolor (ncbitaxon:76330) - PubMed (8860961)
ChEBI Ontology
Outgoing Relation(s)
7-dehydroporiferasterol peroxide (CHEBI:203854) has parent hydride stigmastane (CHEBI:26773)
7-dehydroporiferasterol peroxide (CHEBI:203854) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
Manual XrefsDatabases
23306469ChemSpider