(5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-phenylsulfanyl-oxolan-2-one

Systemtic Name: (5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-phenylsulfanyl-oxolan-2-one Openeye Name: (5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]tetrahydrofuran-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: (5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]-2-oxolanyl]tridec-7-en-9-ynyl]-5-methyl-3-(phenylthio)-2-oxolanone IUPAC Name: (5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-phenylsulfanyloxolan-2-one Traditional Name: (5S)-3-[(E,13R)-13-(methoxymethoxy)-13-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)tridecyl]tetrahydrofuran-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-(phenylthio)tetrahydrofuran-2-one Formula: C45H72O7S MolecularWeight: 757.11398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1CCC(O1)C(CCC#CC=CCCCCCCC2(CC(OC2=O)C)SC3=CC=CC=C3)OCOC)OCOC

Isomeric SMILES

CCCCCCCCCCCC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCC#C/C=C/CCCCCCC2(C[C@@H](OC2=O)C)SC3=CC=CC=C3)OCOC)OCOC

InChI

InChI=1S/C45H72O7S/c1-5-6-7-8-9-10-13-16-19-25-30-40(49-36-47-3)42-32-33-43(52-42)41(50-37-48-4)31-26-20-17-14-11-12-15-18-21-27-34-45(35-38(2)51-44(45)46)53-39-28-23-22-24-29-39/h11,14,22-24,28-29,38,40-43H,5-10,12-13,15-16,18-19,21,25-27,30-37H2,1-4H3/b14-11+/t38-,40-,41+,42-,43+,45?/m0/s1