(2S,3R,4S)-2,5-diacetyloxy-3-(2,3-diacetyloxy-4-methyl-phenyl)-4-methyl-pentanoic acid

Systemtic Name: (2S,3R,4S)-2,5-diacetyloxy-3-(2,3-diacetyloxy-4-methyl-phenyl)-4-methyl-pentanoic acid Openeye Name: (2S,3R,4S)-2,5-diacetoxy-3-(2,3-diacetoxy-4-methyl-phenyl)-4-methyl-pentanoic acid CAS Name: (2S,3R,4S)-2,5-diacetyloxy-3-(2,3-diacetyloxy-4-methylphenyl)-4-methylpentanoic acid IUPAC Name: (2S,3R,4S)-2,5-diacetyloxy-3-(2,3-diacetyloxy-4-methylphenyl)-4-methylpentanoic acid Traditional Name: (2S,3R,4S)-2,5-diacetoxy-3-(2,3-diacetoxy-4-methyl-phenyl)-4-methyl-valeric acid Formula: C21H26O10 MolecularWeight: 438.42514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C(C)COC(=O)C)C(C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[C@@H]([C@H](C)COC(=O)C)[C@@H](C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H26O10/c1-10-7-8-16(19(30-14(5)24)18(10)29-13(4)23)17(11(2)9-28-12(3)22)20(21(26)27)31-15(6)25/h7-8,11,17,20H,9H2,1-6H3,(H,26,27)/t11-,17-,20+/m1/s1