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1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

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Name

1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

EINECS 1312995-182-4
CAS No. 13306-05-3 Density N/A
PSA 114.29000 LogP 2.90890
Solubility N/A Melting Point N/A
Formula C15H11O6 Boiling Point N/A
Molecular Weight 287.249 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13306-05-3 (cyanidin) Hazard Symbols N/A
Synonyms

3,3',4',5,7-Pentahydroxyflavyliumchlorid;

Article Data 19

1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- Synthetic route

20315-25-7

procyanidin B1

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
61541-06-8, 78284-51-2, 79199-52-3, 79199-53-4, 104320-35-6, 141605-03-0, 61541-02-4

(2R,3R,4S)-4-(2,4,6-trihydroxyphenyl)flavan-3,3',4',5,7-pentaol

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
12798-59-3

procyanidin B7

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
23567-23-9

procyanidin B3

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
69256-15-1

(2R,3S,4R)-(+)-3,4,5,7,3',4'-hexahydroxyflavan

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; Mechanism; various metals;
68178-64-3

epicatechin-(4β<*>8)-epicatechin-(4β<*>2)-phloroglucinol

13306-05-3

cyanidin

Conditions
ConditionsYield
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h;
47705-70-4, 142506-26-1

cyanidin-3-glucoside

A

2280-44-6

D-Glucose

B

13306-05-3

cyanidin

Conditions
ConditionsYield
With trifluoroacetic acid at 95℃; Kinetics;

idaein

A

10257-28-0

D-Galactose

B

13306-05-3

cyanidin

Conditions
ConditionsYield
With trifluoroacetic acid at 95℃; Kinetics;

1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- Specification

The 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, with the CAS registry number of 13306-05-3, is also known as 3,3',4',5,7-Pentahydroxyflavyliumchlorid. Its molecular formula is C15H11O6 and molecular weight is 287.244240. What's more, its IUPAC name is 2-(3,4-Dihydroxyphenyl)chromenylium-3,5,7-triol. It is a natural organic compound. It is a particular type of anthocyanidin (not to be confused with anthocyanins which are glycosides of anthocyanidins).

Physical properties about the 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- are: (1)#H bond acceptors: 6; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 59.29 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1O)c3[o+]c2cc(O)cc(O)c2cc3O
(2) InChI: InChI=1/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
(3) InChIKey: VEVZSMAEJFVWIL-IKLDFBCSAG

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