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

Systemtic Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-9-(hydroxymethyl)-3,7,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Openeye Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-bromo-4-hydroxy-phenyl)methyl]-9-(hydroxymethyl)-3,7,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone CAS Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-bromo-4-hydroxyphenyl)methyl]-9-(hydroxymethyl)-3,7,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone IUPAC Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-bromo-4-hydroxyphenyl)methyl]-9-(hydroxymethyl)-3,7,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Traditional Name: (3S,6R,9S,12S,14E,16R,18S)-6-(3-bromo-4-hydroxy-benzyl)-3,7,12,14,16,18-hexamethyl-9-methylol-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone Formula: C28H40BrN3O7 MolecularWeight: 610.5371

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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)CO)C)CC2=CC(=C(C=C2)O)Br)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)CO)C)CC2=CC(=C(C=C2)O)Br)C)C

InChI

InChI=1S/C28H40BrN3O7/c1-15-9-16(2)11-18(4)39-28(38)19(5)30-26(36)23(13-20-7-8-24(34)21(29)12-20)32(6)27(37)22(14-33)31-25(35)17(3)10-15/h7-9,12,16-19,22-23,33-34H,10-11,13-14H2,1-6H3,(H,30,36)(H,31,35)/b15-9+/t16-,17-,18-,19-,22-,23+/m0/s1