Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Canthaxanthin	514-78-3	10875440

Structure

Other Information

Canonical SMILES	CC1=C(C(CC=C1O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=CCC2(C)C)O)C)C)C
Iso SMILES	CC1=C(C(CC=C1O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=CCC2(C)C)O)C)C)C)/C)/C
InChI	InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-26,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChI Key	PNLSIRAIRUYUEO-DKLMTRRASA-N
Formula	C40H52O2
Mol Weight	564.84
XlogP3	11.7
Charge	0

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Synonyms Information

CAS Name	5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,4,6-trimethyl-1-cyclohexa-1,5-dienol
IUPAC Name	5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-cyclohexa-1,3-dien-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,4,6-trimethyl-cyclohexa-1,5-dien-1-ol
Openeye Name	5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,4,6-trimethylcyclohexa-1,5-dien-1-ol
Systematic Name	4,4,6-trimethyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanyl-cyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexa-1,5-dien-1-ol
Tratitional Name	4,4,6-trimethyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanyl-cyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexa-1,5-dien-1-ol