(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-azanyl-14,16,30-trimethyl-15,17,29,33,35,37,41,43,45,47,51,53-dodecakis(oxidanyl)-31-oxidanylidene-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid

Systemtic Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-azanyl-14,16,30-trimethyl-15,17,29,33,35,37,41,43,45,47,51,53-dodecakis(oxidanyl)-31-oxidanylidene-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid Openeye Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,29,33,35,37,41,43,45,47,51,53-dodecahydroxy-14,16,30-trimethyl-31-oxo-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid CAS Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,29,33,35,37,41,43,45,47,51,53-dodecahydroxy-14,16,30-trimethyl-31-oxohexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid IUPAC Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,29,33,35,37,41,43,45,47,51,53-dodecahydroxy-14,16,30-trimethyl-31-oxohexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid Traditional Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,29,33,35,37,41,43,45,47,51,53-dodecahydroxy-31-keto-14,16,30-trimethyl-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoic acid Formula: C59H93NO15 MolecularWeight: 1056.36742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCCC=CC=CC=CC=CC(=O)O)C(C(C)C(C=CC=CC=CC=CC=CCC(C(C)C(=O)CC(CC(CC(C=CCC(CC(CC(CC(C=CCC(CC(CCCN)O)O)O)O)O)O)O)O)O)O)O)O

Isomeric SMILES

CC(/C=C/CC/C=C/C=C/C=C/C=C/C(=O)O)C(C(C)C(/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)CC(CC(CC(/C=C/CC(CC(CC(CC(/C=C/CC(CC(CCCN)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C59H93NO15/c1-43(26-19-15-11-7-4-5-10-14-18-22-34-58(73)74)59(75)45(3)56(71)33-21-17-13-9-6-8-12-16-20-32-55(70)44(2)57(72)42-54(69)41-53(68)39-49(64)30-24-29-48(63)38-52(67)40-51(66)37-47(62)28-23-27-46(61)36-50(65)31-25-35-60/h4-10,12-14,16-24,26,28,30,33-34,43-56,59,61-71,75H,11,15,25,27,29,31-32,35-42,60H2,1-3H3,(H,73,74)/b7-4+,9-6+,10-5+,12-8+,17-13+,18-14+,20-16+,26-19+,28-23+,30-24+,33-21+,34-22+