Decapreno-beta-carotene structure

Decapreno-beta-carotene

2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene

Also Known As: Decapreno-|A-carotene|Decapreno-beta-carotene|C50-beta-Carotene|Decapreno-b-carotene|C50-|A-Carotene|Decapreno- beta -carotene|Decapreno-b-carotene (Technical Grade)|J2.519.411J|2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene|Cyclohexene, 1,1'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis(2,6,6-trimethyl-, (all-E)-|(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-1,26-Bis(2,6,6-trimethyl-1-cyclohexenyl)-3,7,11,16,20,24-hexamethylhexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene|(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,26-bis(1,3,3-trimethylcyclohexene-2-yl)-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene|(all-E)-1,1'-(3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[2,6,6-trimethylcyclohexene|1,1 -[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecene-1,26-diyl]bis(2,6,6-trimethyl-1-cyclohexene)|1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl]bis[2,6,6-trimethylcyclohexene|1,26-Bis(2,6,6-trimethyl-1-cyclohexenyl)-3,7,11,16,20,24-hexamethylhexacosane-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecene|2,2 -(3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecene-1,26-diyl)bis(1,3,3-trimethylcyclohexene)|2,2 -[(3E,7E,11E,15E,19E,23E)-3,7,11,16,20,24-Hexamethylhexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecene-1,26-diyl]bis(1,3,3-trimethyl-1-cyclohexene)|2,2'-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethylhexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene-1,26-diyl)bis(1,3,3-trimethylcyclohex-1-ene)|2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-HEXAMETHYL-26-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)HEXACOSA-1,3,5,7,9,11,13,15,17,19,21,23,25-TRIDECAEN-1-YL]-1,3,3-TRIMETHYLCYCLOHEX-1-ENE|2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethyl-cyclohexene|2-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohex-1-en-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene|2-[(3E,7E,11E,15E,19E,23E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohex-1-en-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene|2-[3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohex-1-en-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene

CAS: 5940-03-4
Molecular Formula C50H68
Molecular Weight 668.5321 g/mol
LogP 15.6108
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
Rotatable Bonds 14
Exact Mass 668.5321
Monoisotopic Mass 668.5321
Heavy Atoms 50
Complexity 1497.8585

Chemical Identifiers

CAS Number 5940-03-4
SMILES 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=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)\C)/C)/C)/C

Product Overview

Decapreno-beta-carotene (CAS 5940-03-4), with molecular formula C50H68 and molecular weight 668.5321 g/mol. IUPAC: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene.

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