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Algae Haematococcus pluvialis

Catalog Number
ACM472617
CAS Number
472-61-7
Product Name
Algae Haematococcus pluvialis
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Description
Solid
IUPAC Name
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Molecular Weight
596.8g/mol
Molecular Formula
C40H52O4
Canonical SMILES
CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
InChI
InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChI Key
MQZIGYBFDRPAKN-UWFIBFSHSA-N
Melting Point
182-183 °C;182.5°C
Solubility
In water, 7.9X10-10 mg/L at 25 °C (est)
Appearance
Dark red powder
Application
Algae Haematococcus pluvialis serves as a key natural source of astaxanthin, a powerful antioxidant known for its superior ability to neutralize free radicals compared to similar compounds like beta-carotene. Astaxanthin is highly regarded for its potent antioxidant properties, its capacity to inhibit lipid peroxidation, and its anti-inflammatory effects. This naturally occurring pigment is part of the carotenoid group and imparts a reddish hue to foods like salmon and certain crustaceans, such as shrimp and crab. Beyond its dietary presence, astaxanthin is utilized in cosmetics for its antioxidative benefits and potential to offer UV protection. The versatile compound, which can be found both free and as an ester in nature, also functions as a food coloring and plays roles as a plant and animal metabolite.
Color/Form
Needles from acetone/light petroleum
Complexity
1340
Covalently-Bonded Unit Count
1
EC Number
207-451-4;231-424-6
Exact Mass
596.38656g/mol
Formal Charge
0
Heavy Atom Count
44
Log P
log Kow = 13.27 (est)
MeSH Entry Terms
astaxanthin;astaxanthine;E-astaxanthin
Monoisotopic Mass
596.38656g/mol
Other Experimental
Reported as shiny purple platelets with gold luster from pyridine; MP: 216 °C; readily soluble in pyridine;Stout, blue-black needles, MP 203-205 °C (vac) /Diacetate/;Henry's Law constant = 1.1x10-4 atm-cu cm/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 7.2X10-10 cu-cm/molec-sec at 25 °C (est)
Rotatable Bond Count
10
UNII
8XPW32PR7I
XLogP3
10.3
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