CAS 472-61-7 Algae Haematococcus pluvialis - Materials / Alfa Chemistry

NAVIGATION

Algae Haematococcus pluvialis

PRICE INQUIRY

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

EC Number

207-451-4;231-424-6

Exact Mass

596.38656g/mol

Formal Charge

Heavy Atom Count

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

UNII

8XPW32PR7I

XLogP3

10.3

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