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4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol; methyl (4S,5E,6S)-4-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-oxidanylidene-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol; methyl (4S,5E,6S)-4-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-oxidanylidene-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Systemtic Name:4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol; methyl (4S,5E,6S)-4-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-oxidanylidene-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Openeye Name:4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol; methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate
CAS Name:(4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester; 4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol
IUPAC Name:4-(2-hydroxyethyl)benzene-1,2-diol; 4-(2-hydroxyethyl)phenol; methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Traditional Name:(4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-keto-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylic acid methyl ester; 4-(2-hydroxyethyl)phenol; 4-(2-hydroxyethyl)pyrocatechol
Formula: C41H52O18
MolecularWeight: 832.84078
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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O.C1=CC(=CC=C1CCO)O.C1=CC(=C(C=C1CCO)O)O


Isomeric SMILES

C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O.C1=CC(=CC=C1CCO)O.C1=CC(=C(C=C1CCO)O)O


InChI

InChI=1S/C25H32O13.C8H10O3.C8H10O2/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25;9-4-3-6-1-2-7(10)8(11)5-6;9-6-5-7-1-3-8(10)4-2-7/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3;1-2,5,9-11H,3-4H2;1-4,9-10H,5-6H2/b13-3+;;/t14-,18+,20+,21-,22+,24-,25-;;/m0../s1


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