2-(4-bromophenyl)carbonyloxy-2-[6-[[2,7-dimethoxy-3-[5-[5-[4-(5-methoxy-6-methyl-oxan-2-yl)oxy-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-2-oxidanyl-oxan-2-yl]ethanoic acid

Systemtic Name: 2-(4-bromophenyl)carbonyloxy-2-[6-[[2,7-dimethoxy-3-[5-[5-[4-(5-methoxy-6-methyl-oxan-2-yl)oxy-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-2-oxidanyl-oxan-2-yl]ethanoic acid Openeye Name: 2-(4-bromobenzoyl)oxy-2-[2-hydroxy-6-[[3-[5-[5-[6-hydroxy-4-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(4-bromophenyl)-oxomethoxy]-2-[2-hydroxy-6-[[3-[5-[5-[6-hydroxy-4-[(5-methoxy-6-methyl-2-oxanyl)oxy]-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-2-oxolanyl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-2-oxanyl]acetic acid IUPAC Name: 2-(4-bromobenzoyl)oxy-2-[2-hydroxy-6-[[3-[5-[5-[6-hydroxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyloxan-2-yl]acetic acid Traditional Name: 2-(4-bromobenzoyl)oxy-2-[2-hydroxy-6-[[3-[5-[5-[6-hydroxy-4-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-tetrahydropyran-2-yl]acetic acid Formula: C55H85BrO19 MolecularWeight: 1130.156

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(C1OC2CCC(C(O2)C)OC)C)(C)O)C3CCC(O3)C4CCC(O4)C5(C(C(C6(O5)C(C(CC(O6)CC7C(C(C(C(O7)(C(C(=O)O)OC(=O)C8=CC=C(C=C8)Br)O)C)OC)(C)OC)OC)C)C)OC)C

Isomeric SMILES

CC1C(OC(C(C1OC2CCC(C(O2)C)OC)C)(C)O)C3CCC(O3)C4CCC(O4)C5(C(C(C6(O5)C(C(CC(O6)CC7C(C(C(C(O7)(C(C(=O)O)OC(=O)C8=CC=C(C=C8)Br)O)C)OC)(C)OC)OC)C)C)OC)C

InChI

InChI=1S/C55H85BrO19/c1-27-44(70-43-24-22-36(62-10)32(6)67-43)29(3)53(9,60)74-45(27)39-20-19-37(68-39)38-21-23-41(69-38)52(8)47(65-13)31(5)55(75-52)28(2)40(63-11)25-35(72-55)26-42-51(7,66-14)46(64-12)30(4)54(61,73-42)48(49(57)58)71-50(59)33-15-17-34(56)18-16-33/h15-18,27-32,35-48,60-61H,19-26H2,1-14H3,(H,57,58)