[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C44H44O10 MolecularWeight: 732.81416

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C)C

Isomeric SMILES

C[C@]12CC[C@H](C1(C)C)C[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C44H44O10/c1-43(2)32-24-25-44(43,3)34(26-32)51-42-37(54-41(48)31-22-14-7-15-23-31)36(53-40(47)30-20-12-6-13-21-30)35(52-39(46)29-18-10-5-11-19-29)33(50-42)27-49-38(45)28-16-8-4-9-17-28/h4-23,32-37,42H,24-27H2,1-3H3/t32-,33+,34-,35+,36-,37+,42-,44+/m0/s1