RNB

3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde


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Chemical Component Summary

Name3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
SynonymsColletochlorin B
Identifiers3-chloranyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
FormulaC18 H23 Cl O3
Molecular Weight322.826
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O
InChIInChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
InChIKeyUEUMAXMCCDEOIJ-XYOKQWHBSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count45
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 6439644
ChEMBL CHEMBL4294528