[(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyprop-1-enyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyprop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyprop-1-enyl]benzoate CAS Name: 2-[3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]prop-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] 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate Traditional Name: 2-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyprop-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: C36H53NO12 MolecularWeight: 691.80552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC=C3C=CCOC4C(C(C(C(O4)CO)O)O)O)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=CCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO)CCCCC

InChI

InChI=1S/C36H53NO12/c1-3-5-9-15-36(16-10-6-4-2)48-27-21-24(33(43)37-17-18-38)20-26(32(27)49-36)46-34(44)25-14-8-7-12-23(25)13-11-19-45-35-31(42)30(41)29(40)28(22-39)47-35/h7-8,11-14,21,26-32,35,38-42H,3-6,9-10,15-20,22H2,1-2H3,(H,37,43)/t26-,27-,28-,29+,30+,31-,32+,35+/m1/s1