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Chlorophyll B

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Name

Chlorophyll B

EINECS 208-272-4
CAS No. 519-62-0 Density N/A
PSA 121.32000 LogP 9.13350
Solubility N/A Melting Point 183-185 °C(lit.)
Formula C55H70MgN4O6 Boiling Point 1071.6oC at 760mmHg
Molecular Weight 907.489 Flash Point 601.9oC
Transport Information N/A Appearance green
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 519-62-0 ((SP-4-2)-((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-)-N23,N24,N25,N26]-magnesium) Hazard Symbols N/A
Synonyms

Magnesium,[3,7,11,15-tetramethyl-2-hexadecenyl9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kN23,kN24,kN25,kN26]-, [SP-4-2-[3S-[3a(2E,7S*,11S*),4b,21b]]]-;Magnesium, [dihydrogen21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-,21-methyl 3-phytyl ester, (E)- (8CI);3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenylester, magnesium complex, [3S-[3a(2E,7S*,11S*),4b,21b]]-;Chlorophyll b;Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-,[SP-4-2-[3S-[3a(2E,7S*,11S*),4b,21b]]]-;b-Chlorophyll;

Article Data 1

Chlorophyll B Synthetic route

A

519-62-0

(10R)-Chlorophyll b

B

(10S)-Chlorophyll b'

Conditions
ConditionsYield
With lithium-di-t-butyl-4-methylphenoxide In thiophene at 50℃; for 0.5h; Yield given. Yields of byproduct given;
519-62-0

(10R)-Chlorophyll b

(10S)-Chlorophyll b'

Conditions
ConditionsYield
With triethylamine at 50℃; for 0.333333h;100%
519-62-0

(10R)-Chlorophyll b

Conditions
ConditionsYield
With trichloroacetic acid In tetrahydrofuran; Petroleum ether for 0.25h;100%
With trichloroacetic acid
67-56-1

methanol

519-62-0

(10R)-Chlorophyll b

132(S)-hydroxy-10-methoxychlorophyll b

Conditions
ConditionsYield
With triplet oxygen8%
110-89-4

piperidine

519-62-0

(10R)-Chlorophyll b

Magnesium Isorhodin g5 6-Carboxypiperidide Phytyl Methyl Ester

Conditions
ConditionsYield
In diethyl ether
67-56-1

methanol

519-62-0

(10R)-Chlorophyll b

(18S)-8-ethyl-9-formyl-1-methoxy-4,14,18r-trimethyl-3-oxo-19t-[2-((2E,7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyloxycarbonyl)-ethyl]-13-vinyl-18,19-dihydro-1H,3H,21H,23H-pyrano[3,4,5-ta]porphine-1ξ-carboxylic acid methyl ester; magnesium complex (1:1)

107-10-8

propylamine

519-62-0

(10R)-Chlorophyll b

Magnesium Isorhodin g5 6-Carboxypropylamide-3-propylaldimin Phytyl Methyl Ester

Conditions
ConditionsYield
In diethyl ether
519-62-0

(10R)-Chlorophyll b

Pyrochlorophyll b

519-62-0

(10R)-Chlorophyll b

10-OH-Chlorophyll b

Conditions
ConditionsYield
In methanol
67-56-1

methanol

519-62-0

(10R)-Chlorophyll b

C56H72N4O8(2-)*Mg(2+)

Conditions
ConditionsYield
With oxygen In acetone under 760 Torr; for 62h; Mechanism; Product distribution; Ambient temperature; inhibiting action of lutein, pure O2;

Chlorophyll B Specification

This chemical is called Chlorophyll B, and it can also be named as (SP-4-2)-((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-)-N23,N24,N25,N26]-magnesium. With the molecular formula of C55H70MgN4O6, its molecular weight is 907.47. The CAS registry number of this chemical is 519-62-0, and its product categories are Miscellaneous Natural Products; Organometallics; Biochemicals Found in Plants; Nutrition Research; Other Biochemical; CNutrition Research; Core Bioreagents; Other BiochemicalResearch Essentials; Stains and Dyes; Stains & Dyes, A to. In addition, this chemical is soluble in methanol, ethanol and ethyl acetate, almost insoluble in ether and acetone. However, this chemical should be stored at the temperature of 2-8 °C.

Other characteristics of the Chlorophyll B can be summarised as followings:(1)Rotatable Bond Count: 23; (2)Tautomer Count: 711; (3)Topological Polar Surface Area: 114; (4)Heavy Atom Count: 66; (5)Formal Charge: 0; (6)Complexity: 2180; (7)Isotope Atom Count: 0; (8)Defined Atom StereoCenter Count: 4; (9)Undefined Atom StereoCenter Count: 1; (10)Defined Bond StereoCenter Count: 1; (11)Undefined Bond StereoCenter Count: 0; (12)Covalently-Bonded Unit Count: 2; (13)#H bond acceptors: 10; (14)#H bond donors: 0; (15)#Freely Rotating Bonds: 23; (16)Polar Surface Area: 119.63 Å2.

Uses of this chemical: Chlorophyll B is a form of chlorophyll. Chlorophyll b helps in photosynthesis by absorbing light energy. It's often used for the soap, mineral oil, wax and oil coloring. The derivatives of this chemical is usually used as deodorant or coloring for food, candy, beverages, toothpaste, etc.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1
2.InChIKey: NSMUHPMZFPKNMZ-IOBBVUIDSA-M

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