tert-butyl (10E)-10-methyl-8-oxidanyl-3-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylate

Systemtic Name: tert-butyl (10E)-10-methyl-8-oxidanyl-3-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylate Openeye Name: tert-butyl (10E)-8-hydroxy-3-isopropenyl-10-methyl-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylate CAS Name: (10E)-8-hydroxy-10-methyl-3-(1-methylethenyl)-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (10E)-8-hydroxy-10-methyl-3-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylate Traditional Name: (10E)-8-hydroxy-3-isopropenyl-10-methyl-15-oxabicyclo[10.2.1]pentadeca-1(14),10,12-trien-6-yne-14-carboxylic acid tert-butyl ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(O2)CC(CCC#CC(C1)O)C(=C)C)C(=O)OC(C)(C)C

Isomeric SMILES

C/C/1=C\C2=CC(=C(O2)CC(CCC#CC(C1)O)C(=C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30O4/c1-15(2)17-9-7-8-10-18(24)11-16(3)12-19-14-20(21(13-17)26-19)22(25)27-23(4,5)6/h12,14,17-18,24H,1,7,9,11,13H2,2-6H3/b16-12+