[(1S,2R,3S,4S,5R)-5-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxy-but-1-en-2-yl]-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2,4-bis(oxidanyl)cyclohexyl] (Z)-2-methylbut-2-enoate

Systemtic Name: [(1S,2R,3S,4S,5R)-5-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxy-but-1-en-2-yl]-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2,4-bis(oxidanyl)cyclohexyl] (Z)-2-methylbut-2-enoate Openeye Name: [(1S,2R,3S,4S,5R)-5-[3-(3,3-dimethyloxiran-2-yl)-2-[(Z)-2-methylbut-2-enoyl]oxy-1-methylene-propyl]-2,4-dihydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxy-cyclohexyl] (Z)-2-methylbut-2-enoate CAS Name: (Z)-2-methyl-2-butenoic acid [(1S,2R,3S,4S,5R)-5-[4-(3,3-dimethyl-2-oxiranyl)-3-[(Z)-2-methyl-1-oxobut-2-enoxy]but-1-en-2-yl]-2,4-dihydroxy-2-methyl-3-[(Z)-2-methyl-1-oxobut-2-enoxy]cyclohexyl] ester IUPAC Name: [(1S,2R,3S,4S,5R)-5-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,4-dihydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate Traditional Name: (Z)-2-methylbut-2-enoic acid [(1S,2R,3S,4S,5R)-5-[1-[2-(3,3-dimethyloxiran-2-yl)-1-[(Z)-2-methylbut-2-enoyl]oxy-ethyl]vinyl]-2,4-dihydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxy-cyclohexyl] ester Formula: C30H44O9 MolecularWeight: 548.66496

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1CC(C(C(C1(C)O)OC(=O)C(=CC)C)O)C(=C)C(CC2C(O2)(C)C)OC(=O)C(=CC)C

Isomeric SMILES

C/C=C(/C)\C(=O)O[C@H]1C[C@@H]([C@@H]([C@@H]([C@]1(C)O)OC(=O)/C(=C\C)/C)O)C(=C)C(CC2C(O2)(C)C)OC(=O)/C(=C\C)/C

InChI

InChI=1S/C30H44O9/c1-11-16(4)26(32)36-21(15-22-29(8,9)39-22)19(7)20-14-23(37-27(33)17(5)12-2)30(10,35)25(24(20)31)38-28(34)18(6)13-3/h11-13,20-25,31,35H,7,14-15H2,1-6,8-10H3/b16-11-,17-12-,18-13-/t20-,21?,22?,23+,24+,25+,30-/m1/s1