[(1S,2R,3S,4S,5S,6S)-3-acetyloxy-2-methyl-5-[(3R,5S)-6-methyl-5-(2-methylpropoxy)-3,6-bis(oxidanyl)hept-1-en-2-yl]-4-(2-methylpropoxy)-2,6-bis(oxidanyl)cyclohexyl] (Z)-2-methylbut-2-enoate

Systemtic Name: [(1S,2R,3S,4S,5S,6S)-3-acetyloxy-2-methyl-5-[(3R,5S)-6-methyl-5-(2-methylpropoxy)-3,6-bis(oxidanyl)hept-1-en-2-yl]-4-(2-methylpropoxy)-2,6-bis(oxidanyl)cyclohexyl] (Z)-2-methylbut-2-enoate Openeye Name: [(1S,2R,3S,4S,5S,6S)-3-acetoxy-5-[(2R,4S)-2,5-dihydroxy-4-isobutoxy-5-methyl-1-methylene-hexyl]-2,6-dihydroxy-4-isobutoxy-2-methyl-cyclohexyl] (Z)-2-methylbut-2-enoate CAS Name: (Z)-2-methyl-2-butenoic acid [(1S,2R,3S,4S,5S,6S)-3-acetyloxy-5-[(3R,5S)-3,6-dihydroxy-6-methyl-5-(2-methylpropoxy)hept-1-en-2-yl]-2,6-dihydroxy-2-methyl-4-(2-methylpropoxy)cyclohexyl] ester IUPAC Name: [(1S,2R,3S,4S,5S,6S)-3-acetyloxy-5-[(3R,5S)-3,6-dihydroxy-6-methyl-5-(2-methylpropoxy)hept-1-en-2-yl]-2,6-dihydroxy-2-methyl-4-(2-methylpropoxy)cyclohexyl] (Z)-2-methylbut-2-enoate Traditional Name: (Z)-2-methylbut-2-enoic acid [(1S,2R,3S,4S,5S,6S)-3-acetoxy-5-[1-[(1R,3S)-1,4-dihydroxy-3-isobutoxy-4-methyl-pentyl]vinyl]-2,6-dihydroxy-4-isobutoxy-2-methyl-cyclohexyl] ester Formula: C30H52O10 MolecularWeight: 572.72788

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1C(C(C(C(C1(C)O)OC(=O)C)OCC(C)C)C(=C)C(CC(C(C)(C)O)OCC(C)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H52O10/c1-12-18(6)28(34)40-26-24(33)23(19(7)21(32)13-22(29(9,10)35)37-14-16(2)3)25(38-15-17(4)5)27(30(26,11)36)39-20(8)31/h12,16-17,21-27,32-33,35-36H,7,13-15H2,1-6,8-11H3/b18-12-/t21-,22+,23+,24+,25+,26+,27+,30-/m1/s1