Algae Haematococcus pluvialis

• Catalog Number: ACM472617
• Product Name: Algae Haematococcus pluvialis
• CAS: 472-61-7
• Category: Material of health food
• 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
• 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