Algae Haematococcus pluvialis

• CAS: 472-61-7
• Catalog Number: ACM472617
• Category: Material of Health Food
• Molecular Weight: 596.8g/mol
• Molecular Formula: C40H52O4
• 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
• 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
• Color/Form: Needles from acetone/light petroleum
• Complexity: 1340
• Covalently-Bonded Unit Count: 1
• EC Number: 207-451-4;231-424-6
• Effective Constituent: Astaxanthin
• Exact Mass: 596.38656g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 44
• LogP: log Kow = 13.27 (est)
• 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

Custom Q&A

What is the molecular formula of Astaxanthin?

The molecular formula of Astaxanthin is C40H52O4.

What is the molecular weight of Astaxanthin?

The molecular weight of Astaxanthin is 596.8 g/mol.

What are some synonyms for Astaxanthin?

Some synonyms for Astaxanthin include Astaxanthin, Ovoester, and AstaREAL.

What class of chemical compounds does Astaxanthin belong to?

Astaxanthin belongs to the terpenes class of chemical compounds.

What is the IUPAC name for Astaxanthin?

The IUPAC name for Astaxanthin is (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.

What is the InChIKey for Astaxanthin?

The InChIKey for Astaxanthin is MQZIGYBFDRPAKN-UWFIBFSHSA-N.

In what organisms can Astaxanthin be found naturally?

Astaxanthin can be found naturally in Ascidia zara, Linckia laevigata, and other organisms.

What is the CAS number for Astaxanthin?

The CAS number for Astaxanthin is 472-61-7.

What is the ChEMBL ID for Astaxanthin?

The ChEMBL ID for Astaxanthin is CHEMBL1255871.

What is the role of Astaxanthin in plants and animals?

Astaxanthin serves as an anticoagulant, an antioxidant, a food coloring, a plant metabolite, and an animal metabolite in plants and animals.