methyl (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,6,10-trimethyl-2,11-bis(oxidanyl)-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]but-2-enoate

Systemtic Name: methyl (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,6,10-trimethyl-2,11-bis(oxidanyl)-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]but-2-enoate Openeye Name: methyl (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]but-2-enoate CAS Name: (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]but-2-enoate Traditional Name: (E)-2-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]but-2-enoic acid methyl ester Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1CC2C(CCC=C(CCCC(C(C1O2)O)C)C)(C)O)C(=O)OC

Isomeric SMILES

C/C=C(\[C@@H]1C[C@H]2[C@](CC/C=C(/CCC[C@H]([C@@H]([C@@H]1O2)O)C)\C)(C)O)/C(=O)OC

InChI

InChI=1S/C22H36O5/c1-6-16(21(24)26-5)17-13-18-22(4,25)12-8-10-14(2)9-7-11-15(3)19(23)20(17)27-18/h6,10,15,17-20,23,25H,7-9,11-13H2,1-5H3/b14-10+,16-6+/t15-,17+,18+,19+,20-,22-/m1/s1