CCc1ccc(Cc2cc([C@@]3(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(OC)c2C#N)cc1

Nombre: 6-(4-ethylbenzyl)-2-methoxy-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzonitrile

IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-cyano-3-[(4-ethylphenyl)methyl]-5-methoxyphenyl]-6-hydroxyoxan-2-yl]methyl acetate

SMILES: CCc1ccc(Cc2cc([C@@]3(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(OC)c2C#N)cc1

Canonical SMILES: CCC1=CC=C(C=C1)CC2=C(C(=CC(=C2)C3(C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)OC)C#N

Fórmula molecular: C31H35NO11

Masa molecular: 597.60

InChIKey: GHHPCNQQZLFDES-PXPWAULYSA-N

InChI:

InChI=1S/C31H35NO11/c1-7-21-8-10-22(11-9-21)12-23-13-24(14-26(38-6)25(23)15-32)31(37)30(42-20(5)36)29(41-19(4)35)28(40-18(3)34)27(43-31)16-39-17(2)33/h8-11,13-14,27-30,37H,7,12,16H2,1-6H3/t27-,28-,29+,30-,31-/m1/s1

PubChem CID: 86639987 →

Sinónimos

GHHPCNQQZLFDES-PXPWAULYSA-N6-(4-ethylbenzyl)-2-methoxy-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-benzonitrile6-(4-ethylbenzyl)-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-methoxy-benzonitrile

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