2-[(E,1R,2S)-8-(2,2-dimethylpropanoyloxy)-5-methyl-1-oxidanyl-2-propan-2-yl-oct-5-enyl]-5-(oxan-2-yloxymethyl)furan-3-carboxylic acid

Systemtic Name: 2-[(E,1R,2S)-8-(2,2-dimethylpropanoyloxy)-5-methyl-1-oxidanyl-2-propan-2-yl-oct-5-enyl]-5-(oxan-2-yloxymethyl)furan-3-carboxylic acid Openeye Name: 2-[(E,1R,2S)-8-(2,2-dimethylpropanoyloxy)-1-hydroxy-2-isopropyl-5-methyl-oct-5-enyl]-5-(tetrahydropyran-2-yloxymethyl)furan-3-carboxylic acid CAS Name: 2-[(E,1R,2S)-8-(2,2-dimethyl-1-oxopropoxy)-1-hydroxy-5-methyl-2-propan-2-yloct-5-enyl]-5-(2-oxanyloxymethyl)-3-furancarboxylic acid IUPAC Name: 2-[(E,1R,2S)-8-(2,2-dimethylpropanoyloxy)-1-hydroxy-5-methyl-2-propan-2-yloct-5-enyl]-5-(oxan-2-yloxymethyl)furan-3-carboxylic acid Traditional Name: 2-[(E,1R,2S)-1-hydroxy-2-isopropyl-5-methyl-8-pivaloyloxy-oct-5-enyl]-5-(tetrahydropyran-2-yloxymethyl)-3-furoic acid Formula: C28H44O8 MolecularWeight: 508.64416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=CCCOC(=O)C(C)(C)C)C)C(C1=C(C=C(O1)COC2CCCCO2)C(=O)O)O

Isomeric SMILES

CC(C)[C@H](CC/C(=C/CCOC(=O)C(C)(C)C)/C)[C@H](C1=C(C=C(O1)COC2CCCCO2)C(=O)O)O

InChI

InChI=1S/C28H44O8/c1-18(2)21(13-12-19(3)10-9-15-34-27(32)28(4,5)6)24(29)25-22(26(30)31)16-20(36-25)17-35-23-11-7-8-14-33-23/h10,16,18,21,23-24,29H,7-9,11-15,17H2,1-6H3,(H,30,31)/b19-10+/t21-,23?,24+/m0/s1