methyl (3E,5S,7R,8R,9E,11E)-5-acetyloxy-7-(2,2-dimethylpropanoyloxymethyl)-8-(methoxymethoxy)-3,13,13-trimethyl-14-oxidanylidene-cyclotetradeca-3,9,11-triene-1-carboxylate

Systemtic Name: methyl (3E,5S,7R,8R,9E,11E)-5-acetyloxy-7-(2,2-dimethylpropanoyloxymethyl)-8-(methoxymethoxy)-3,13,13-trimethyl-14-oxidanylidene-cyclotetradeca-3,9,11-triene-1-carboxylate Openeye Name: methyl (3E,5S,7R,8R,9E,11E)-5-acetoxy-7-(2,2-dimethylpropanoyloxymethyl)-8-(methoxymethoxy)-3,13,13-trimethyl-14-oxo-cyclotetradeca-3,9,11-triene-1-carboxylate CAS Name: (3E,5S,7R,8R,9E,11E)-5-acetyloxy-7-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-(methoxymethoxy)-3,13,13-trimethyl-14-oxo-1-cyclotetradeca-3,9,11-trienecarboxylic acid methyl ester IUPAC Name: methyl (3E,5S,7R,8R,9E,11E)-5-acetyloxy-7-(2,2-dimethylpropanoyloxymethyl)-8-(methoxymethoxy)-3,13,13-trimethyl-14-oxocyclotetradeca-3,9,11-triene-1-carboxylate Traditional Name: (3E,5S,7R,8R,9E,11E)-5-acetoxy-14-keto-8-(methoxymethoxy)-3,13,13-trimethyl-7-(pivaloyloxymethyl)cyclotetradeca-3,9,11-triene-1-carboxylic acid methyl ester Formula: C29H44O9 MolecularWeight: 536.65426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C/1=C\[C@H](C[C@@H]([C@@H](/C=C/C=C/C(C(=O)C(C1)C(=O)OC)(C)C)OCOC)COC(=O)C(C)(C)C)OC(=O)C

InChI

InChI=1S/C29H44O9/c1-19-14-22(38-20(2)30)16-21(17-36-27(33)28(3,4)5)24(37-18-34-8)12-10-11-13-29(6,7)25(31)23(15-19)26(32)35-9/h10-14,21-24H,15-18H2,1-9H3/b12-10+,13-11+,19-14+/t21-,22-,23?,24-/m1/s1