[(E)-3,5-dimethyl-7-[9-methyl-10-[3-[[2-methyl-4-[2-[3-methyl-6-[(E)-2-oxidanylidenepent-3-enyl]oxan-2-yl]ethanoylamino]-3-oxidanyl-butanoyl]amino]propyl]-5,11-dioxaspiro[5.5]undecan-4-yl]hept-3-en-2-yl] ethanoate

Systemtic Name: [(E)-3,5-dimethyl-7-[9-methyl-10-[3-[[2-methyl-4-[2-[3-methyl-6-[(E)-2-oxidanylidenepent-3-enyl]oxan-2-yl]ethanoylamino]-3-oxidanyl-butanoyl]amino]propyl]-5,11-dioxaspiro[5.5]undecan-4-yl]hept-3-en-2-yl] ethanoate Openeye Name: [(E)-6-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]tetrahydropyran-2-yl]acetyl]amino]butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-1,2,4-trimethyl-hex-2-enyl] acetate CAS Name: acetic acid [(E)-7-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]-2-oxanyl]-1-oxoethyl]amino]-1-oxobutyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-3,5-dimethylhept-3-en-2-yl] ester IUPAC Name: [(E)-7-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-3,5-dimethylhept-3-en-2-yl] acetate Traditional Name: acetic acid [(E)-6-[10-[3-[[3-hydroxy-4-[[2-[6-[(E)-2-ketopent-3-enyl]-3-methyl-tetrahydropyran-2-yl]acetyl]amino]-2-methyl-butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-1,2,4-trimethyl-hex-2-enyl] ester Formula: C42H70N2O9 MolecularWeight: 747.0132

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)C=C(C)C(C)OC(=O)C)C)O)C

Isomeric SMILES

C/C=C/C(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)/C=C(\C)/C(C)OC(=O)C)C)O)C

InChI

InChI=1S/C42H70N2O9/c1-9-12-34(46)24-36-18-16-28(3)39(51-36)25-40(48)44-26-37(47)31(6)41(49)43-22-11-14-38-29(4)19-21-42(53-38)20-10-13-35(52-42)17-15-27(2)23-30(5)32(7)50-33(8)45/h9,12,23,27-29,31-32,35-39,47H,10-11,13-22,24-26H2,1-8H3,(H,43,49)(H,44,48)/b12-9+,30-23+