methyl (2S,3S,5R)-6-(5-bromanyl-2-methoxy-6-oxidanyl-3-propan-2-yloxy-phenyl)-3-methoxy-5-methyl-2-oxidanyl-hexanoate

Systemtic Name: methyl (2S,3S,5R)-6-(5-bromanyl-2-methoxy-6-oxidanyl-3-propan-2-yloxy-phenyl)-3-methoxy-5-methyl-2-oxidanyl-hexanoate Openeye Name: methyl (2S,3S,5R)-6-(3-bromo-2-hydroxy-5-isopropoxy-6-methoxy-phenyl)-2-hydroxy-3-methoxy-5-methyl-hexanoate CAS Name: (2S,3S,5R)-6-(3-bromo-2-hydroxy-6-methoxy-5-propan-2-yloxyphenyl)-2-hydroxy-3-methoxy-5-methylhexanoic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-6-(3-bromo-2-hydroxy-6-methoxy-5-propan-2-yloxyphenyl)-2-hydroxy-3-methoxy-5-methylhexanoate Traditional Name: (2S,3S,5R)-6-(3-bromo-2-hydroxy-5-isopropoxy-6-methoxy-phenyl)-2-hydroxy-3-methoxy-5-methyl-hexanoic acid methyl ester Formula: C19H29BrO7 MolecularWeight: 449.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C(=C1OC)CC(C)CC(C(C(=O)OC)O)OC)O)Br

Isomeric SMILES

C[C@H](CC1=C(C(=CC(=C1O)Br)OC(C)C)OC)C[C@@H]([C@@H](C(=O)OC)O)OC

InChI

InChI=1S/C19H29BrO7/c1-10(2)27-15-9-13(20)16(21)12(18(15)25-5)7-11(3)8-14(24-4)17(22)19(23)26-6/h9-11,14,17,21-22H,7-8H2,1-6H3/t11-,14+,17+/m1/s1