[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-[(2R,3S,4S,5R,6S)-3-oxidanyl-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-4-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-[(2R,3S,4S,5R,6S)-3-oxidanyl-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-4-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3S,4S,5R,6S)-5-benzyloxy-2-(benzyloxymethyl)-3-hydroxy-6-[(2R,3R,4S,5R,6R)-4,5,6-tribenzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-6-[[(2R,3S,4S,5R,6S)-3-hydroxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-4-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-6-[(2R,3S,4S,5R,6S)-3-hydroxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-4-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3S,4S,5R,6S)-5-benzoxy-2-(benzoxymethyl)-3-hydroxy-6-[(2R,3R,4S,5R,6R)-4,5,6-tribenzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C72H79NO20 MolecularWeight: 1278.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2C(C(C(OC2OC3C(C(OC(C3OCC4=CC=CC=C4)OC5C(OC(C(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)COCC1=CC=CC=C1)O)COC(=O)C)OC(=O)C)OC(=O)C)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3OCC4=CC=CC=C4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)COCC1=CC=CC=C1)O)COC(=O)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C72H79NO20/c1-45-46(2)69(79)73(68(45)78)59-63(88-49(5)76)61(87-48(4)75)58(44-82-47(3)74)90-70(59)93-64-60(77)56(42-80-36-50-24-12-6-13-25-50)89-72(66(64)84-39-53-30-18-9-19-31-53)92-62-57(43-81-37-51-26-14-7-15-27-51)91-71(86-41-55-34-22-11-23-35-55)67(85-40-54-32-20-10-21-33-54)65(62)83-38-52-28-16-8-17-29-52/h6-35,56-67,70-72,77H,36-44H2,1-5H3/t56-,57-,58-,59-,60+,61-,62-,63-,64+,65+,66-,67-,70+,71-,72+/m1/s1