[(3aS,4R,7aR)-6-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 2-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3aS,4R,7aR)-6-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 2-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C38H57NO10 MolecularWeight: 687.85988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC=C3C=COCCO)C(=O)NC(CCC(=O)OC(C)(C)C)CO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=COCCO)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC

InChI

InChI=1S/C38H57NO10/c1-6-8-12-19-38(20-13-9-7-2)47-32-25-28(35(43)39-29(26-41)16-17-33(42)48-37(3,4)5)24-31(34(32)49-38)46-36(44)30-15-11-10-14-27(30)18-22-45-23-21-40/h10-11,14-15,18,22,25,29,31-32,34,40-41H,6-9,12-13,16-17,19-21,23-24,26H2,1-5H3,(H,39,43)/t29-,31+,32+,34-/m0/s1