C4D

4,4'-Diaponeurosporene

Created:	2017-08-11
Last modified:	2021-03-13

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1 entries where C4D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	0
Bond Count	71
Aromatic Bond Count	0

2D diagram of C4D

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Chemical Component 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
Systematic Name (OpenEye OEToolkits)	(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
Formula	C₃₀ H₄₂
Molecular Weight	402.654
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=[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
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C
SMILES	OpenEye OEToolkits	2.0.6	CC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C)C)C)C
Canonical SMILES	CACTVS	3.385	CC(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
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=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
InChI	InChI	1.03	InChI=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+
InChIKey	InChI	1.03	FPSYVUBUILNSRF-MQMKOTMBSA-N

Related Resource References

Resource Name	Reference
PubChem	6443791
ChEBI	CHEBI:62743

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.