[(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetyloxy-6-oxidanyl-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] ethanoate

Systemtic Name: [(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetyloxy-6-oxidanyl-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] ethanoate Openeye Name: [(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetoxy-6-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] acetate CAS Name: acetic acid [(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetyloxy-6-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] ester IUPAC Name: [(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetyloxy-6-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] acetate Traditional Name: acetic acid [(4aR,5S,6R,7S,8S,8aR)-5-[[(3aS,4S,9aR,9bS)-2,2,8,8-tetramethyl-4,6,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-h][1,3]benzodioxin-4-yl]amino]-8-acetoxy-6-hydroxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-7-yl] ester Formula: C31H41NO11 MolecularWeight: 603.65734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C2COC(OC2C1OC(=O)C)C3=CC=CC=C3)NC4C=C5COC(OC5C6C4OC(O6)(C)C)(C)C)O

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)C3=CC=CC=C3)N[C@H]4C=C5COC(O[C@H]5[C@H]6[C@H]4OC(O6)(C)C)(C)C)O

InChI

InChI=1S/C31H41NO11/c1-15(33)38-26-22(35)21(19-14-36-29(17-10-8-7-9-11-17)40-24(19)27(26)39-16(2)34)32-20-12-18-13-37-30(3,4)41-23(18)28-25(20)42-31(5,6)43-28/h7-12,19-29,32,35H,13-14H2,1-6H3/t19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29?/m0/s1