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

Systemtic Name: [(2R,3S,4R,5R,6R)-4-[[(3aR,4R,5S,7R,7aS)-5-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]amino]-5-acetamido-3-acetyloxy-6-octoxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-4-[[(3aR,4R,5S,7R,7aS)-5-acetoxy-7-(benzyloxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]amino]-5-acetamido-3-acetoxy-6-octoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-4-[[(3aR,4R,5S,7R,7aS)-5-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]amino]-5-acetamido-3-acetyloxy-6-octoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-4-[[(3aR,4R,5S,7R,7aS)-5-acetyloxy-2,2-dimethyl-7-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]amino]-5-acetamido-3-acetyloxy-6-octoxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-4-[[(3aR,4R,5S,7R,7aS)-5-acetoxy-7-(benzoxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]amino]-5-acetamido-3-acetoxy-6-octoxy-tetrahydropyran-2-yl]methyl ester Formula: C39H60N2O12 MolecularWeight: 748.8999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)NC2C(CC(C3C2OC(O3)(C)C)COCC4=CC=CC=C4)OC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)N[C@@H]2[C@H](C[C@@H]([C@H]3[C@@H]2OC(O3)(C)C)COCC4=CC=CC=C4)OC(=O)C)NC(=O)C

InChI

InChI=1S/C39H60N2O12/c1-8-9-10-11-12-16-19-47-38-34(40-24(2)42)33(36(50-27(5)45)31(51-38)23-48-25(3)43)41-32-30(49-26(4)44)20-29(35-37(32)53-39(6,7)52-35)22-46-21-28-17-14-13-15-18-28/h13-15,17-18,29-38,41H,8-12,16,19-23H2,1-7H3,(H,40,42)/t29-,30+,31-,32-,33-,34-,35+,36-,37-,38-/m1/s1