[[5-(3-acetamido-5-methyl-2-oxidanyl-hex-4-enoyl)oxy-2,2,4-trimethyl-1-oxidanyl-3-(1-oxidanyl-2-oxidanylidene-propyl)cyclohex-3-en-1-yl]-(4-methyl-6-oxidanyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] benzoate

Systemtic Name: [[5-(3-acetamido-5-methyl-2-oxidanyl-hex-4-enoyl)oxy-2,2,4-trimethyl-1-oxidanyl-3-(1-oxidanyl-2-oxidanylidene-propyl)cyclohex-3-en-1-yl]-(4-methyl-6-oxidanyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] benzoate Openeye Name: [[5-(3-acetamido-2-hydroxy-5-methyl-hex-4-enoyl)oxy-1-hydroxy-3-(1-hydroxy-2-oxo-propyl)-2,2,4-trimethyl-cyclohex-3-en-1-yl]-(6-hydroxy-4-methyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] benzoate CAS Name: benzoic acid [[5-(3-acetamido-2-hydroxy-5-methyl-1-oxohex-4-enoxy)-1-hydroxy-3-(1-hydroxy-2-oxopropyl)-2,2,4-trimethyl-1-cyclohex-3-enyl]-(6-hydroxy-4-methyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] ester IUPAC Name: [[5-(3-acetamido-2-hydroxy-5-methylhex-4-enoyl)oxy-1-hydroxy-3-(1-hydroxy-2-oxopropyl)-2,2,4-trimethylcyclohex-3-en-1-yl]-(6-hydroxy-4-methyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] benzoate Traditional Name: benzoic acid [[5-(3-acetamido-2-hydroxy-5-methyl-hex-4-enoyl)oxy-1-hydroxy-3-(1-hydroxy-2-keto-propyl)-2,2,4-trimethyl-cyclohex-3-en-1-yl]-(6-hydroxy-4-methyl-8-oxabicyclo[4.2.0]octan-5-yl)methyl] ester Formula: C37H51NO11 MolecularWeight: 685.80094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1C(C3(CC(C(=C(C3(C)C)C(C(=O)C)O)C)OC(=O)C(C(C=C(C)C)NC(=O)C)O)O)OC(=O)C4=CC=CC=C4)(CO2)O

Isomeric SMILES

CC1CCC2C(C1C(C3(CC(C(=C(C3(C)C)C(C(=O)C)O)C)OC(=O)C(C(C=C(C)C)NC(=O)C)O)O)OC(=O)C4=CC=CC=C4)(CO2)O

InChI

InChI=1S/C37H51NO11/c1-19(2)16-25(38-23(6)40)31(42)34(44)48-26-17-37(46,35(7,8)29(21(26)4)30(41)22(5)39)32(49-33(43)24-12-10-9-11-13-24)28-20(3)14-15-27-36(28,45)18-47-27/h9-13,16,20,25-28,30-32,41-42,45-46H,14-15,17-18H2,1-8H3,(H,38,40)