(3S,6R,9S,12S,14E,16R,18S)-6-[(4-iodanyl-3-oxidanyl-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone

Systemtic Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(4-iodanyl-3-oxidanyl-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Openeye Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-hydroxy-4-iodo-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone CAS Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-hydroxy-4-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone IUPAC Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-hydroxy-4-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Traditional Name: (3S,6R,9S,12S,14E,16R,18S)-6-(3-hydroxy-4-iodo-benzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone Formula: C28H40IN3O6 MolecularWeight: 641.53817

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)I)O)C)C

Isomeric SMILES

C[C@@H]\1C[C@@H](OC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=CC(=C(C=C2)I)O)C)C

InChI

InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(13-21-8-9-22(29)24(33)14-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,14,16-20,23,33H,11-13H2,1-7H3,(H,30,34)(H,31,35)/b15-10+/t16-,17-,18-,19-,20-,23+/m0/s1