8CT

(6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene

Created:	2018-10-12
Last modified:	2018-11-21

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10 entries where 8CT is found as a standalone ligand1 entries where 8CT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	96
Chiral Atom Count	1
Bond Count	97
Aromatic Bond Count	0

2D diagram of 8CT

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Chemical Component Summary
Name	(6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
Systematic Name (OpenEye OEToolkits)	1,3,3-trimethyl-2-[(1~{E},3~{E},5~{Z},7~{Z},9~{Z},11~{E},13~{Z},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R})-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Formula	C₄₀ H₅₆
Molecular Weight	536.873
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC2(C)C)C)(C)C
SMILES	CACTVS	3.385	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
SMILES	OpenEye OEToolkits	2.0.6	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
Canonical SMILES	CACTVS	3.385	CC(=C/C=C\C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)\C=C/C=C(C)/C=C/[C@H]2C(=CCCC2(C)C)C
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C
InChI	InChI	1.03	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11-,19-13-,20-14-,27-25+,28-26+,31-17+,32-18-,33-21+,34-22+/t37-/m0/s1
InChIKey	InChI	1.03	ANVAOWXLWRTKGA-GZSHKXEASA-N

Related Resource References

Resource Name	Reference
PubChem	145945968

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