(3R,9R)-12-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-bis(prop-1-en-2-yl)-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid

Systemtic Name: (3R,9R)-12-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-bis(prop-1-en-2-yl)-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid Openeye Name: (3R,9R)-12-tert-butoxycarbonyl-3,9-diisopropenyl-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid CAS Name: (3R,9R)-3,9-bis(1-methylethenyl)-12-[(2-methylpropan-2-yl)oxy-oxomethyl]-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid IUPAC Name: (3R,9R)-12-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-bis(prop-1-en-2-yl)-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid Traditional Name: (3R,9R)-12-tert-butoxycarbonyl-3,9-diisopropenyl-13-oxabicyclo[8.2.1]trideca-1(12),6,7,10-tetraene-6-carboxylic acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=C=CC(C2=CC(=C(C1)O2)C(=O)OC(C)(C)C)C(=C)C)C(=O)O

Isomeric SMILES

CC(=C)[C@@H]1CCC(=C=C[C@@H](C2=CC(=C(C1)O2)C(=O)OC(C)(C)C)C(=C)C)C(=O)O

InChI

InChI=1S/C24H30O5/c1-14(2)17-9-8-16(22(25)26)10-11-18(15(3)4)21-13-19(20(12-17)28-21)23(27)29-24(5,6)7/h11,13,17-18H,1,3,8-9,12H2,2,4-7H3,(H,25,26)/t10?,17-,18-/m1/s1