Anhydrolutein III structure

Anhydrolutein III

3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

Also Known As: Anhydrolutein III

CAS: 752-29-4
Molecular Formula C40H54O
Molecular Weight 550.4175 g/mol
LogP 12.0
Topological Polar Surface Area 20.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 10
Exact Mass 550.4175
Monoisotopic Mass 550.4175
Heavy Atoms 41
Complexity 1300.0

Chemical Identifiers

CAS Number 752-29-4
SMILES CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C=CCC2(C)C)C)C)C
InChIKey BMQNSHDVIYZULR-UHFFFAOYSA-N

Product Overview

Anhydrolutein III (CAS 752-29-4), with molecular formula C40H54O and molecular weight 550.4175 g/mol. IUPAC: 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol.

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