[(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetyloxy-6-methoxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetyloxy-6-methoxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetoxy-7-(benzyloxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetoxy-6-methoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetyloxy-6-methoxy-2-oxanyl]methyl ester IUPAC Name: [(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6R)-3-[[(3aS,4S,5R,7R,7aS)-4-acetoxy-7-(benzoxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-5-acetamido-4-acetoxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C32H46N2O12 MolecularWeight: 650.71384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC)COC(=O)C)NC2CC(C3C(C2OC(=O)C)OC(O3)(C)C)COCC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COC(=O)C)N[C@@H]2C[C@@H]([C@H]3[C@@H]([C@H]2OC(=O)C)OC(O3)(C)C)COCC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C32H46N2O12/c1-17(35)33-26-29(43-20(4)38)25(24(16-41-18(2)36)44-31(26)39-7)34-23-13-22(15-40-14-21-11-9-8-10-12-21)27-30(28(23)42-19(3)37)46-32(5,6)45-27/h8-12,22-31,34H,13-16H2,1-7H3,(H,33,35)/t22-,23-,24-,25-,26-,27+,28+,29+,30+,31-/m1/s1