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CHEBI:175710 - Macrocarpal H

Default Structure
ChEBI IDCHEBI:175710
ChEBI NameMacrocarpal H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILES[H][C@@]1(C(C)(C)O)CC[C@]2(C)[C@@]([H])(C1)C(=C)CC[C@@]2([H])[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O
InChIInChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1
InChIKeyOOAOETHJYYAVCC-GNLPDQNGSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrocarpal H (CHEBI:175710) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
5-[(1S)-1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
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