[(E)-6-[(4Z,9E,11Z)-8-ethanoyl-16-(ethanoylcarbamoyloxy)-8-methoxy-4-methyl-6,13-bis(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)-8-ethanoyl-16-(ethanoylcarbamoyloxy)-8-methoxy-4-methyl-6,13-bis(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)-8-acetyl-16-(acetylcarbamoyloxy)-8-methoxy-4-methyl-6,13-dioxo-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]-8-acetyl-8-methoxy-4-methyl-6,13-dioxo-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)-8-acetyl-16-(acetylcarbamoyloxy)-8-methoxy-4-methyl-6,13-dioxo-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)-8-acetyl-16-(acetylcarbamoyloxy)-6,13-diketo-8-methoxy-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: C36H52N2O13 MolecularWeight: 720.80368

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H52N2O13/c1-6-7-8-9-10-16-29(43)48-21-14-12-15-26(41)31(45)33-34(51-35(46)37-25(4)40)32-27(49-32)19-18-23(2)22-28(42)38-36(47-5,24(3)39)20-13-11-17-30(44)50-33/h11-13,15,17,20,22,26-27,31-34,41,45H,6-10,14,16,18-19,21H2,1-5H3,(H,38,42)(H,37,40,46)/b15-12+,17-11-,20-13+,23-22-