(4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

Systemtic Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone Openeye Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromo-4-hydroxy-phenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone CAS Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone IUPAC Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone Traditional Name: (4R,7R,10S,13S,15E,17R,19S)-7-(3-bromo-4-hydroxy-benzyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-diquinone Formula: C34H44BrN3O7 MolecularWeight: 686.63306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)Br)C3=CC=C(C=C3)O)C

Isomeric SMILES

C[C@@H]\1C[C@@H](OC(=O)C[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)O)Br)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1