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A1H6M

Summary
Name:11,20-Ethanoretinal
Synonyms:(2E)-2-[3-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]ethanal
Retinal 6.11
Formula:C22 H30 O
Formal charge:0
Formula weight:310.473 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{E})-2-[3-[(1~{E},3~{E})-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]ethanal

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H30O/c1-17(15-20-9-5-8-19(16-20)12-14-23)10-11-21-18(2)7-6-13-22(21,3)4/h10-12,14-16H,5-9,13H2,1-4H3/b11-10+,17-15+,19-12+
InChIKeyInChI1.06FOYUFPJPFUUNOX-ZRTTZBFNSA-N
SMILES_CANONICALCACTVS3.385CC(\C=C\C1=C(C)CCCC1(C)C)=C/C2=C/C(CCC2)=C/C=O
SMILESCACTVS3.385CC(C=CC1=C(C)CCCC1(C)C)=CC2=CC(CCC2)=CC=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C(CCC1)(C)C)/C=C/C(=C/C2=C/C(=C/C=O)/CCC2)/C
SMILESOpenEye OEToolkits2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC2=CC(=CC=O)CCC2)C

249697

PDB entries from 2026-02-25

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