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Nombre: 3-(4-ethylbenzyl)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,3,4,6-tetra-O-acetyl-D-glucopyranos-1-yl)-benzene

IUPAC: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-[3-[(4-ethylphenyl)methyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-hydroxyoxan-2-yl]methyl acetate

SMILES: CCc1ccc(Cc2cc(C3(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(B3OC(C)(C)C(C)(C)O3)c2C)cc1

Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2C)CC3=CC=C(C=C3)CC)C4(C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O

Fórmula molecular: C36H47BO12

Masa molecular: 682.60

InChIKey: GUQCCGVTTQPABD-OBECQMASSA-N

InChI: InChI=1S/C36H47BO12/c1-11-25-12-14-26(15-13-25)16-27-17-28(18-29(20(27)2)37-48-34(7,8)35(9,10)49-37)36(42)33(46-24(6)41)32(45-23(5)40)31(44-22(4)39)30(47-36)19-43-21(3)38/h12-15,17-18,30-33,42H,11,16,19H2,1-10H3/t30-,31-,32+,33-,36?/m1/s1

PubChem CID: 66968975 →

Sinónimos

SCHEMBL1260000GUQCCGVTTQPABD-OBECQMASSA-N3-(4-ethylbenzyl)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,3,4,6-tetra-O-acetyl-D-glucopyranos-1-yl)-benzene

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