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Cas Database

Name	Delphinidin3-glucosidechloride	EINECS	N/A
CAS No.	6906-38-3	Density	N/A
PSA	213.67000	LogP	-2.90840
Solubility	N/A	Melting Point	N/A
Formula	C₂₁H₂₁ClO₁₂	Boiling Point	N/A
Molecular Weight	500.844	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1-Benzopyrylium,3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-,chloride (9CI);Flavylium, 3-(b-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI);Myrtillin (6CI);3,3',4',5,5',7'-Hexahydroxyflavylium chloride 3-glucoside;Delphinidin 3-O-glucoside;Delphinidin 3-O-b-D-glucopyranoside;Delphinidin 3-O-b-glucopyranoside;Delphinidin3-glucoside;Delphinidin 3-monoglucoside;Delphinidin 3-b-D-monoglucoside;Delphinidol3-glucoside;Delphinin;Mirtillin;	Article Data	1

Delphinidin3-glucosidechloride Specification

This chemical is called 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-,chloride (1:1), and its systematic name is 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-glucopyranoside chloride. With the molecular formula of C₂₁H₂₁ClO₁₂, its molecular weight is 500.84. The CAS registry number of this chemical is 6906-38-3. Additionally, its product category is Miscellaneous Natural Products.

Other characteristics of the 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-,chloride (1:1) can be summarised as followings: (1)#H bond acceptors: 12; (2)#H bond donors: 9; (3)#Freely Rotating Bonds: 13; (4)Polar Surface Area: 114.67 Å².

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O(c1c([o+]c2c(c1)c(O)cc(O)c2)c3cc(O)c(O)c(O)c3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
2.InChI: InChI=1/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1
3.InChIKey: ZJWIIMLSNZOCBP-BTTVDUMLBT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	1850mg/kg (1850mg/kg)		United States Patent Document. Vol. #4229439,

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