[(E)-6-[(4Z,9E,11Z)-7-ethanoyl-16-(ethanoylcarbamoyloxy)-4-methyl-6,8,13-tris(oxidanylidene)-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-bis(oxidanyl)hex-3-enyl] octanoate

Systemtic Name: [(E)-6-[(4Z,9E,11Z)-7-ethanoyl-16-(ethanoylcarbamoyloxy)-4-methyl-6,8,13-tris(oxidanylidene)-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-bis(oxidanyl)hex-3-enyl] octanoate Openeye Name: [(E)-6-[(4Z,9E,11Z)-7-acetyl-16-(acetylcarbamoyloxy)-4-methyl-6,8,13-trioxo-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-dihydroxy-hex-3-enyl] octanoate CAS Name: octanoic acid [(E)-6-[(4Z,9E,11Z)-16-[acetamido(oxo)methoxy]-7-acetyl-4-methyl-6,8,13-trioxo-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-dihydroxyhex-3-enyl] ester IUPAC Name: [(E)-6-[(4Z,9E,11Z)-7-acetyl-16-(acetylcarbamoyloxy)-4-methyl-6,8,13-trioxo-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-dihydroxyhex-3-enyl] octanoate Traditional Name: caprylic acid [(E)-6-[(4Z,9E,11Z)-7-acetyl-16-(acetylcarbamoyloxy)-6,8,13-triketo-4-methyl-14,18-dioxa-7-azabicyclo[15.1.0]octadeca-4,9,11-trien-15-yl]-5,6-dihydroxy-hex-3-enyl] ester Formula: C35H48N2O13 MolecularWeight: 704.76122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC=CC(C(C1C(C2C(O2)CCC(=CC(=O)N(C(=O)C=CC=CC(=O)O1)C(=O)C)C)OC(=O)NC(=O)C)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC/C=C/C(C(C1C(C2C(O2)CC/C(=C\C(=O)N(C(=O)/C=C/C=C\C(=O)O1)C(=O)C)/C)OC(=O)NC(=O)C)O)O

InChI

InChI=1S/C35H48N2O13/c1-5-6-7-8-9-16-29(43)47-20-13-12-14-25(40)31(45)33-34(50-35(46)36-23(3)38)32-26(48-32)19-18-22(2)21-28(42)37(24(4)39)27(41)15-10-11-17-30(44)49-33/h10-12,14-15,17,21,25-26,31-34,40,45H,5-9,13,16,18-20H2,1-4H3,(H,36,38,46)/b14-12+,15-10+,17-11-,22-21-