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(C#N)c2C)cc1

Name: 1-cyano-3-(4-ethylbenzyl)-2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene

IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-cyano-5-[(4-ethylphenyl)methyl]-4-methylphenyl]-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(C#N)c2C)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)C#N)C

Summenformel: C31H35NO10

Molare Masse: 581.60

InChIKey: YVWQYWMASJHMJT-PXPWAULYSA-N

InChI:

InChI=1S/C31H35NO10/c1-7-22-8-10-23(11-9-22)12-24-13-26(14-25(15-32)17(24)2)31(37)30(41-21(6)36)29(40-20(5)35)28(39-19(4)34)27(42-31)16-38-18(3)33/h8-11,13-14,27-30,37H,7,12,16H2,1-6H3/t27-,28-,29+,30-,31-/m1/s1

PubChem CID: 86639985 →

Synonyme

YVWQYWMASJHMJT-PXPWAULYSA-N1-cyano-3-(4-ethylbenzyl)-2-methyl-5-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-benzene

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