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CHEBI:175636 - Macrocarpal C

ChEBI IDCHEBI:175636
ChEBI NameMacrocarpal C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O5
Net Charge0
Average Mass454.607
Monoisotopic Mass454.27192
SMILES[H][C@@]12C(C)(C)[C@]1([H])CCC(=C)[C@]1([H])CC[C@](C)([C@@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O)[C@@]21[H]
InChIInChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
InChIKeyIEWHEHWXBLPFER-HUCVFKCKSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrocarpal C (CHEBI:175636) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Manual XrefsDatabases
400194ChemSpider
Registry NumbersSources
CAS:142628-53-3ChemIDplus