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

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(1R)-4-[(3R)-3-(2,2-dimethylpropanoyloxy)butyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(1R)-4-[(3R)-3-(2,2-dimethylpropanoyloxy)butyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-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-[[(1R)-4-[(3R)-3-(2,2-dimethyl-1-oxopropoxy)butyl]-3,5,5-trimethyl-1-cyclohex-3-enyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[(1R)-4-[(3R)-3-(2,2-dimethylpropanoyloxy)butyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,4S,5R,6R)-3,4,5-tripivaloyloxy-6-[(1R)-3,5,5-trimethyl-4-[(3R)-3-pivaloyloxybutyl]cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C44H74O12 MolecularWeight: 795.05116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)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)(C)C)CCC(C)OC(=O)C(C)(C)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)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)(C)C)CC[C@@H](C)OC(=O)C(C)(C)C

InChI

InChI=1S/C44H74O12/c1-25-22-27(23-44(18,19)28(25)21-20-26(2)51-35(46)40(6,7)8)52-33-32(56-38(49)43(15,16)17)31(55-37(48)42(12,13)14)30(54-36(47)41(9,10)11)29(53-33)24-50-34(45)39(3,4)5/h26-27,29-33H,20-24H2,1-19H3/t26-,27-,29-,30-,31+,32-,33-/m1/s1