2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-7-iodanyl-3-[(4-methoxyphenyl)methoxy]-8-oxidanyl-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]ethanoic acid; 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-8-iodanyl-3-[(4-methoxyphenyl)methoxy]-7-oxidanyl-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]ethanoic acid

Systemtic Name: 2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-7-iodanyl-3-[(4-methoxyphenyl)methoxy]-8-oxidanyl-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]ethanoic acid; 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-8-iodanyl-3-[(4-methoxyphenyl)methoxy]-7-oxidanyl-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]ethanoic acid Openeye Name: 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-4,9-dibenzyloxy-7-hydroxy-8-iodo-3-[(4-methoxyphenyl)methoxy]-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid; 2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-4,9-dibenzyloxy-8-hydroxy-7-iodo-3-[(4-methoxyphenyl)methoxy]-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid CAS Name: 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-7-hydroxy-8-iodo-3-[(4-methoxyphenyl)methoxy]-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid; 2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-8-hydroxy-7-iodo-3-[(4-methoxyphenyl)methoxy]-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid IUPAC Name: 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-7-hydroxy-8-iodo-3-[(4-methoxyphenyl)methoxy]-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid; 2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-8-hydroxy-7-iodo-3-[(4-methoxyphenyl)methoxy]-4,9-bis(phenylmethoxy)-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid Traditional Name: 2-[(1S,3S,4S,5R,6R,7S,8S,9S)-5-acetamido-4,9-dibenzoxy-7-hydroxy-8-iodo-3-p-anisyloxy-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid; 2-[(1R,3S,4S,5R,6R,7S,8R,9S)-5-acetamido-4,9-dibenzoxy-8-hydroxy-7-iodo-3-p-anisyloxy-2-oxabicyclo[3.3.1]nonan-6-yl]acetic acid Formula: C68H76I2N2O18 MolecularWeight: 1463.14258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12C(C(C(C(C1OCC3=CC=CC=C3)OC(C2OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)I)O)CC(=O)O.CC(=O)NC12C(C(C(C(C1OCC3=CC=CC=C3)OC(C2OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)O)I)CC(=O)O

Isomeric SMILES

CC(=O)N[C@]12[C@H]([C@@H]([C@@H]([C@H]([C@H]1OCC3=CC=CC=C3)O[C@@H]([C@H]2OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)I)O)CC(=O)O.CC(=O)N[C@]12[C@H]([C@@H]([C@@H]([C@H]([C@H]1OCC3=CC=CC=C3)O[C@@H]([C@H]2OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)O)I)CC(=O)O

InChI

InChI=1S/2C34H38INO9/c1-21(37)36-34-26(17-27(38)39)29(40)28(35)30(31(34)42-18-22-9-5-3-6-10-22)45-33(32(34)43-19-23-11-7-4-8-12-23)44-20-24-13-15-25(41-2)16-14-24;1-21(37)36-34-26(17-27(38)39)28(35)29(40)30(31(34)42-18-22-9-5-3-6-10-22)45-33(32(34)43-19-23-11-7-4-8-12-23)44-20-24-13-15-25(41-2)16-14-24/h2*3-16,26,28-33,40H,17-20H2,1-2H3,(H,36,37)(H,38,39)/t2*26-,28-,29-,30+,31+,32+,33-,34+/m00/s1