methyl (E,5R,7R,8S)-7-acetyloxy-2-methyl-8,11-bis(3-methylbutanoyloxy)-5-propanoyloxy-undec-2-enoate

Systemtic Name: methyl (E,5R,7R,8S)-7-acetyloxy-2-methyl-8,11-bis(3-methylbutanoyloxy)-5-propanoyloxy-undec-2-enoate Openeye Name: methyl (E,5R,7R,8S)-7-acetoxy-2-methyl-8,11-bis(3-methylbutanoyloxy)-5-propanoyloxy-undec-2-enoate CAS Name: (E,5R,7R,8S)-7-acetyloxy-2-methyl-8,11-bis(3-methyl-1-oxobutoxy)-5-(1-oxopropoxy)-2-undecenoic acid methyl ester IUPAC Name: methyl (E,5R,7R,8S)-7-acetyloxy-2-methyl-8,11-bis(3-methylbutanoyloxy)-5-propanoyloxyundec-2-enoate Traditional Name: (E,5R,7R,8S)-7-acetoxy-8,11-diisovaleryloxy-2-methyl-5-propionyloxy-undec-2-enoic acid methyl ester Formula: C28H46O10 MolecularWeight: 542.65884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC=C(C)C(=O)OC)CC(C(CCCOC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)C

Isomeric SMILES

CCC(=O)O[C@H](C/C=C(\C)/C(=O)OC)C[C@H]([C@H](CCCOC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)C

InChI

InChI=1S/C28H46O10/c1-9-25(30)37-22(13-12-20(6)28(33)34-8)17-24(36-21(7)29)23(38-27(32)16-19(4)5)11-10-14-35-26(31)15-18(2)3/h12,18-19,22-24H,9-11,13-17H2,1-8H3/b20-12+/t22-,23+,24-/m1/s1