[(2R,4S,8R)-4-acetyloxy-10-(2-methoxysulfonylethylamino)-8-methyl-8-oxidanyl-10-oxidanylidene-decan-2-yl] (Z)-pentacos-8-en-4-ynoate

Systemtic Name: [(2R,4S,8R)-4-acetyloxy-10-(2-methoxysulfonylethylamino)-8-methyl-8-oxidanyl-10-oxidanylidene-decan-2-yl] (Z)-pentacos-8-en-4-ynoate Openeye Name: [(1R,3S,7R)-3-acetoxy-7-hydroxy-9-(2-methoxysulfonylethylamino)-1,7-dimethyl-9-oxo-nonyl] (Z)-pentacos-8-en-4-ynoate CAS Name: (Z)-pentacos-8-en-4-ynoic acid [(2R,4S,8R)-4-acetyloxy-8-hydroxy-10-(2-methoxysulfonylethylamino)-8-methyl-10-oxodecan-2-yl] ester IUPAC Name: [(2R,4S,8R)-4-acetyloxy-8-hydroxy-10-(2-methoxysulfonylethylamino)-8-methyl-10-oxodecan-2-yl] (Z)-pentacos-8-en-4-ynoate Traditional Name: (Z)-pentacos-8-en-4-ynoic acid [(1R,3S,7R)-3-acetoxy-7-hydroxy-9-keto-9-(2-methoxysulfonylethylamino)-1,7-dimethyl-nonyl] ester Formula: C41H73NO9S MolecularWeight: 756.08462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CCCC#CCCC(=O)OC(C)CC(CCCC(C)(CC(=O)NCCS(=O)(=O)OC)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C\CCC#CCCC(=O)O[C@H](C)C[C@H](CCC[C@](C)(CC(=O)NCCS(=O)(=O)OC)O)OC(=O)C

InChI

InChI=1S/C41H73NO9S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-40(45)50-36(2)34-38(51-37(3)43)29-28-31-41(4,46)35-39(44)42-32-33-52(47,48)49-5/h21-22,36,38,46H,6-20,23-24,27-35H2,1-5H3,(H,42,44)/b22-21-/t36-,38+,41-/m1/s1