hexahelicen-3-yl (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: hexahelicen-3-yl (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: hexahelicen-3-yl (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-hexahelicenyl ester IUPAC Name: hexahelicen-3-yl (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R,4S)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid hexahelicen-3-yl ester Formula: C36H28O4 MolecularWeight: 524.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OC3=CC4=C(C=C3)C5=C(C=CC6=C5C7=C(C=C6)C=CC8=CC=CC=C87)C=C4)C)C

Isomeric SMILES

C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)OC3=CC4=C(C=C3)C5=C(C=CC6=C5C7=C(C=C6)C=CC8=CC=CC=C87)C=C4

InChI

InChI=1S/C36H28O4/c1-34(2)35(3)18-19-36(34,40-32(35)37)33(38)39-26-16-17-28-25(20-26)15-14-23-11-13-24-12-10-22-9-8-21-6-4-5-7-27(21)29(22)31(24)30(23)28/h4-17,20H,18-19H2,1-3H3/t35-,36+/m0/s1