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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 | Hazard Symbols | N/A | |
Synonyms |
3,3',4',5,7-Pentahydroxyflavyliumchlorid; |
Article Data | 19 |
procyanidin B1
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
(2R,3R,4S)-4-(2,4,6-trihydroxyphenyl)flavan-3,3',4',5,7-pentaol
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
catechin-(4α->2)-phloroglucinol
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
procyanidin B7
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
procyanidin B3
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
(2R,3S,4R)-(+)-3,4,5,7,3',4'-hexahydroxyflavan
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; Mechanism; various metals; |
epicatechin-(4β<*>8)-epicatechin-(4β<*>2)-phloroglucinol
cyanidin
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium ferric sulfate In methanol; butan-1-ol at 95℃; for 0.666667h; |
Conditions | Yield |
---|---|
With trifluoroacetic acid at 95℃; Kinetics; |
Conditions | Yield |
---|---|
With trifluoroacetic acid at 95℃; Kinetics; |
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