[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(1R)-3,5,5-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl]oxy-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[(1R)-3,5,5-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl]oxy-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(1R)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-3-enyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(1R)-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C47H46O11 MolecularWeight: 786.86154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)C)C=CC(=O)C

Isomeric SMILES

CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)C)/C=C/C(=O)C

InChI

InChI=1S/C47H46O11/c1-30-27-36(28-47(3,4)37(30)26-25-31(2)48)54-46-41(58-45(52)35-23-15-8-16-24-35)40(57-44(51)34-21-13-7-14-22-34)39(56-43(50)33-19-11-6-12-20-33)38(55-46)29-53-42(49)32-17-9-5-10-18-32/h5-26,36,38-41,46H,27-29H2,1-4H3/b26-25+/t36-,38-,39-,40+,41-,46-/m1/s1