[(1S,2S,3R,4R,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxy-cyclohexyl] (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: [(1S,2S,3R,4R,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxy-cyclohexyl] (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: [(1S,2R,3S,4R,5R,6S)-3-allyloxy-2,4,5,6-tetrabenzyloxy-cyclohexyl] (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 [(1S,2S,3R,4R,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxycyclohexyl] ester IUPAC Name: [(1S,2S,3R,4R,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxycyclohexyl] (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 [(1S,2R,3S,4R,5R,6S)-3-allyloxy-2,4,5,6-tetrabenzoxy-cyclohexyl] ester Formula: C47H52O9 MolecularWeight: 760.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OC3C(C(C(C(C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC=C)OCC7=CC=CC=C7)C)C

Isomeric SMILES

C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@H]3[C@@H]([C@H]([C@H]([C@H]([C@@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC=C)OCC7=CC=CC=C7

InChI

InChI=1S/C47H52O9/c1-5-28-50-37-38(51-29-33-18-10-6-11-19-33)39(52-30-34-20-12-7-13-21-34)41(54-32-36-24-16-9-17-25-36)42(40(37)53-31-35-22-14-8-15-23-35)55-44(49)47-27-26-46(4,43(48)56-47)45(47,2)3/h5-25,37-42H,1,26-32H2,2-4H3/t37-,38+,39+,40+,41-,42-,46-,47+/m0/s1