(2S)-4-[(4E,8S,11E,13R)-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-8-oxidanyl-trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one

Systemtic Name: (2S)-4-[(4E,8S,11E,13R)-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-8-oxidanyl-trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one Openeye Name: (2S)-4-[(4E,8S,11E,13R)-8-hydroxy-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one CAS Name: (2S)-4-[(4E,8S,11E,13R)-8-hydroxy-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]-2-oxolanyl]-2-oxolanyl]trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one IUPAC Name: (2S)-4-[(4E,8S,11E,13R)-8-hydroxy-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one Traditional Name: (2S)-4-[(4E,8S,11E,13R)-8-hydroxy-13-(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]trideca-4,11-dien-6-ynyl]-2-methyl-2H-furan-5-one Formula: C41H66O9 MolecularWeight: 702.95734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(C=CCCC(C#CC=CCCCC3=CC(OC3=O)C)O)OCOC)OCOC

Isomeric SMILES

CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](/C=C/CC[C@@H](C#C/C=C/CCCC3=C[C@@H](OC3=O)C)O)OCOC)OCOC

InChI

InChI=1S/C41H66O9/c1-5-6-7-8-9-10-14-17-23-35(46-30-44-3)37-25-27-39(49-37)40-28-26-38(50-40)36(47-31-45-4)24-19-18-22-34(42)21-16-13-11-12-15-20-33-29-32(2)48-41(33)43/h11,13,19,24,29,32,34-40,42H,5-10,12,14-15,17-18,20,22-23,25-28,30-31H2,1-4H3/b13-11+,24-19+/t32-,34+,35+,36+,37+,38+,39+,40+/m0/s1