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C4D

Summary
Name:4,4'-Diaponeurosporene
Synonyms:(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
Formula:C30 H42
Formal charge:0
Formula weight:402.654 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
OpenEye OEToolkits2.0.6(4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E})-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=[C@H]CC/C(C)=C/C=CC(\C)=C\C=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C)(C)C
InChIInChI1.03InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+
InChIKeyInChI1.03FPSYVUBUILNSRF-MQMKOTMBSA-N
SMILES_CANONICALCACTVS3.385CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)C
SMILESCACTVS3.385CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C
SMILESOpenEye OEToolkits2.0.6CC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C)C)C)C

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PDB entries from 2024-03-27

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