kitol
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kitol
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CAS No:
4626-00-0
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Formula:
C40H58(OH)2
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Chemical Name:
kitol
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Synonyms:
kitol;KitolA;[1α,2α,5α(1E,3E),6β(1E,3E,5E)]-3,6-DiMethyl-5-[2-Methyl-4-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-6-[4-Methyl-6-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-3-cyclohexene-1,2-diMethanol;(1R,2S,5S,6R)-rel-3,6-DiMethyl-5-[(1E,3E)-2-Methyl-4-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-6-[(1E,3E,5E)-4-Methyl-6-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-3-cyclohexene-1,2-diMethanol
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CAS No:
Characteristics
40.5
10.40020
1.02g/cm3
88-90° (Embree); 98-100° (Chatan); 72° (Tawara)
672.7ºC at 760mmHg
254.5ºC
1.593
kitol Use and Manufacturing
Kitol is a natural retinol dimer obtained from mammalian liver oil. It is a provitamin A which can be converted to vitamin A.
Computed Properties
Molecular Weight:572.9
XLogP3:10
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:572.45933115
Monoisotopic Mass:572.45933115
Topological Polar Surface Area:40.5
Heavy Atom Count:42
Complexity:1220
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes