[(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-3-oxoprop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[(2-hydroxyethylamino)-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-keto-3-[(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl]oxy-prop-1-enyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-(2-hydroxyethylcarbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C36H49NO10 MolecularWeight: 655.77496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OC4C(=O)OCC4(C)C)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)O[C@H]4C(=O)OCC4(C)C)C(=O)NCCO)CCCCC

InChI

InChI=1S/C36H49NO10/c1-5-7-9-17-36(18-10-8-6-2)46-28-22-26(32(40)37-19-20-38)21-27(30(28)47-36)44-33(41)25-14-11-24(12-15-25)13-16-29(39)45-31-34(42)43-23-35(31,3)4/h11-16,22,27-28,30-31,38H,5-10,17-21,23H2,1-4H3,(H,37,40)/t27-,28-,30+,31+/m1/s1