AG00ADEA

Name: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Brand: Angene Chemical
SKU: AG00ADEA

15498-86-9 | (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate

Chemical structure of (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate, CAS 15498-86-9

AG00ADEA

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CAS Number	15498-86-9
Catalog Number	AG00ADEA(AGN-PC-0WBNMC)
Chemical Name	(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name	[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
InChI	InChI=1S/C40H56O2/c1-30(21-23-36-34(5)19-13-26-39(36,7)8)15-11-17-32(3)25-28-42-38(41)29-33(4)18-12-16-31(2)22-24-37-35(6)20-14-27-40(37,9)10/h11-12,15-18,21-25,29H,13-14,19-20,26-28H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,30-15+,31-16+,32-25+,33-29+
InChI Key	QNCTWCFXYGJGKU-CHOOPKNISA-N
Molecular Formula	C40H56O2
Molecular Weight	568.8714
SMILES	O=C(OC/C=C(C)/C=CC=C(C)/C=CC1=C(C)CCCC1(C)C)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C
UNII	5AT5X9J439
Synonyms	retinyl retinoate, Retinyl retinoate, UNII-5AT5X9J439, 15498-86-9, 5AT5X9J439, EP-reti plus, retinylretinoate, Retinoic acid, ester with retinol, Retinoic acid, retin-15-yl ester, SCHEMBL990650, CHEMBL451039, DTXSID00165764, QNCTWCFXYGJGKU-CHOOPKNISA-N, CID10303376, CID 10303376,

Complexity	1270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	8
Exact Mass	568.428g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	568.886g/mol
Monoisotopic Mass	568.428g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited