[(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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate CAS Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Traditional Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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: C42H61NO9 MolecularWeight: 723.93504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)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(=C3)C=CC4CCC5C(C4)O5)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC

InChI

InChI=1S/C42H61NO9/c1-6-8-10-21-42(22-11-9-7-2)50-36-26-31(39(46)43-32(27-44)18-20-37(45)51-41(3,4)5)25-35(38(36)52-42)49-40(47)30-14-12-13-28(23-30)15-16-29-17-19-33-34(24-29)48-33/h12-16,23,26,29,32-36,38,44H,6-11,17-22,24-25,27H2,1-5H3,(H,43,46)/t29?,32-,33?,34?,35+,36+,38-/m0/s1