Decapreno-beta-carotene
Basic information
- CAS
5940-03-4- Standard SMILES
CC1=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/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1- InChIKey
ODEVCWAIAJCZRJ-MGJPSJOXSA-N- Molecular formula
- C50H68
- Average molar mass
- 669.1 g/mol
- Monoisotopic mass
- 668.53210217
Overview
structure given in first source
Names & identifiers
- Preferred name
- Decapreno-beta-carotene
- 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
- English name
- decapreno-beta-carotene
- Molecular formula
- C50H68
- Molecular weight
- 669.07
Names & synonyms
5940-03-4Decapreno-beta-caroteneCyclohexene, 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)-RefChem:131229Decapreno-|A-caroteneDecapreno-b-carotene (Technical Grade)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-trimethylcyclohexene2,2'-((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)C50H68MFCD307201972-[(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-cyclohexeneDecapreno-β-carotene
Show more names
Decapreno-2-caroteneDecapreno-β-carotene (Technical Grade)Decapreno-Beta-carotene (Technical Grade)
Properties
Computed structural properties
- XLogP
- 17.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,500
Physicochemical properties
- Melting point
- 193 · 193-195 °C
- Boiling point
- 771.6 · 771.6±27.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- Very Dark Grey
- Stability
- Light Sensitive, Temperature Sensitive
Chemistry & industry
Applications
UsesAn anlogue of β-Carotene (C184250). Decapreno-β-carotene is used as an internal standard for the quantification of the hydrocarbon carotenoids by HPLC.
Usesdecapreno-beta-carotene is an anlogue of β-Carotene (C184250). decapreno-beta-carotene is used as an internal standard for the quantification of the hydrocarbon carotenoids by HPLC.
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Compound notes
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