Magnesium, [3,7,11,15-Tetramethyl-2-hexadecenyl-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinpropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
Chlorophyll B
Grundinformationen
- CAS
519-62-0- Standard-SMILES
C=Cc1c(C)c2cc3nc(c4c5[n-]c(cc6nc(cc1[n-]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C.[Mg+2]- InChIKey
NSMUHPMZFPKNMZ-VBYMZDBQSA-M- Summenformel
- C55H70MgN4O6
- Durchschnittliche Molmasse
- 907,5 g/mol
Überblick
A light, silvery, metallic element. It has the atomic symbol Mg, atomic number 12, and atomic weight 24.31. Its salts are essential in nutrition, being required for the activity of many enzymes, especially those concerned with oxidative phosphorylation. It is a component of both intra- and extracellular fluids and is excreted in the urine and feces. Deficiency causes irritability of the nervous system with tetany, vasodilation, convulsions, tremors, depression, and psychotic behavior. (From Dorland, 27th ed)
Namen und Bezeichner
- Bevorzugter Name
- Chlorophyll B
- IUPAC
- magnesium methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
- Lokaler Name
- Magnesium, [3,7,11,15-Tetramethyl-2-hexadecenyl-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinpropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
- Englischer Name
- Chlorophyll b
- Summenformel
- C55H70MgN4O6
- Molmasse
- 907.49
Namen und Synonyme
CHLOROPHYLL B519-62-0DTXSID70889349magnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylatemagnesium;methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-(3-oxo-3-((E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy)propyl)-23,25-diaza-7,24-diazanidahexacyclo(18.2.1.15,8.110,13.115,18.02,6)hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylateRefChem:918491CHEBI:27888DTXCID201028611Magnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3alpha(2E,7S*,11S*),4beta,21beta)))-208-272-45712ZB110R
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 2.180
Physikochemische Eigenschaften
- Schmelzpunkt
- 183 · 183-185 °C(lit.)
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- Solid
- Farbe
- Dark Green to Very Dark Green Semi-Solid
- Merck
- 13 · 13,2174
- BRN
- 4122778 · 4122778
- Stabilität
- Light Sensitive
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChIKey
- NSMUHPMZFPKNMZ-VBYMZDBQSA-M
- SMILES
- [H]C(=O)c1c(CC)c2cc3c(C)c4C(=O)[C@H](C(=O)OC)c5c6nc(cc7c(C)c(C=C)c(cc1n2)n7[Mg]n3c45)[C@@H](C)[C@@H]6CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
- EPA chemische Informationen
- Chlorophyll b (519-62-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS ClassificationNot Classified
Gefahrenhinweise
Regulatory InformationChemical: Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]]-
Other Safety Information
IMAP assessments - Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
General Manufacturing InformationMagnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, (SP-4-2)-: ACTIVE
Anwendungen
VerwendenChlorophyll b is a photosynthetic pigment used in the absorption of light energy. Chlorophyl b is involved in photosynthesis and absorbs primarily blue light.
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