[(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-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]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-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]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-[3-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-3-oxo-prop-1-enyl]benzoate CAS Name: 2-[3-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-3-oxoprop-1-enyl]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-[3-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 2-[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-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C43H61NO12 MolecularWeight: 783.94394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC=C3C=CC(=O)OC4C(=O)OCC4(C)C)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=CC(=O)O[C@H]4C(=O)OCC4(C)C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC

InChI

InChI=1S/C43H61NO12/c1-8-10-14-22-43(23-15-11-9-2)54-33-25-29(38(48)44-30(26-45)19-21-35(47)55-41(3,4)5)24-32(36(33)56-43)52-39(49)31-17-13-12-16-28(31)18-20-34(46)53-37-40(50)51-27-42(37,6)7/h12-13,16-18,20,25,30,32-33,36-37,45H,8-11,14-15,19,21-24,26-27H2,1-7H3,(H,44,48)/t30-,32+,33+,36-,37-/m0/s1