[(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetyloxy-3-ethyl-1,7,12-tris(oxidanylidene)-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetyloxy-3-ethyl-1,7,12-tris(oxidanylidene)-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetoxy-3-ethyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetyloxy-3-ethyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetyloxy-3-ethyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-8-yl]oxy]-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,6S)-4-acetamido-6-[[(3S)-6-acetoxy-3-ethyl-1,7,12-triketo-3,4-dihydro-2H-benz[a]anthracen-8-yl]oxy]-2-methyl-tetrahydropyran-3-yl] ester Formula: C32H33NO10 MolecularWeight: 591.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)OC5CC(C(C(O5)C)OC(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CC[C@H]1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O[C@H]5C[C@H]([C@H]([C@@H](O5)C)OC(=O)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C32H33NO10/c1-6-18-10-19-12-24(41-16(4)35)28-29(26(19)22(37)11-18)30(38)20-8-7-9-23(27(20)31(28)39)43-25-13-21(33-15(3)34)32(14(2)40-25)42-17(5)36/h7-9,12,14,18,21,25,32H,6,10-11,13H2,1-5H3,(H,33,34)/t14-,18-,21+,25-,32-/m0/s1