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CHEBI:176026 - Oxepahyperforin

Default Structure
ChEBI IDCHEBI:176026
ChEBI NameOxepahyperforin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O5
Net Charge0
Average Mass552.796
Monoisotopic Mass552.38147
SMILES[H][C@@]1(C(C)(C)O)CC[C@]2(C)[C@@H](CC=C(C)C)C[C@]3(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O1)[C@@]2(C(=O)C(C)C)C3=O
InChIInChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1
InChIKeySUFKQAGGNFAGTD-UXLXDXPVSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxepahyperforin (CHEBI:176026) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1R,6S,9R,10S,13S)-6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
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