[(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(E,2R)-4-[(1R)-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-oxan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(E,2R)-4-[(1R)-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(E,1R)-3-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-1-methyl-allyloxy]tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-6-[(E,2R)-4-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]but-3-en-2-yl]oxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(E,2R)-4-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,4S,5R,6R)-6-[(E,1R)-3-[(1R)-1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl]-1-methyl-allyloxy]-3,4,5-tripivaloyloxy-tetrahydropyran-2-yl]methyl ester Formula: C39H62O12 MolecularWeight: 722.90238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O)(C)C

Isomeric SMILES

CC1=CC(=O)CC([C@@]1(/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O)(C)C

InChI

InChI=1S/C39H62O12/c1-22-19-24(40)20-38(15,16)39(22,45)18-17-23(2)47-29-28(51-33(44)37(12,13)14)27(50-32(43)36(9,10)11)26(49-31(42)35(6,7)8)25(48-29)21-46-30(41)34(3,4)5/h17-19,23,25-29,45H,20-21H2,1-16H3/b18-17+/t23-,25-,26-,27+,28-,29-,39+/m1/s1