methyl (4Z,27E,29R)-18-methyl-29-oxidanyl-hentriaconta-4,27-dien-2,30-diynoate

Systemtic Name: methyl (4Z,27E,29R)-18-methyl-29-oxidanyl-hentriaconta-4,27-dien-2,30-diynoate Openeye Name: methyl (4Z,27E,29R)-29-hydroxy-18-methyl-hentriaconta-4,27-dien-2,30-diynoate CAS Name: (4Z,27E,29R)-29-hydroxy-18-methylhentriaconta-4,27-dien-2,30-diynoic acid methyl ester IUPAC Name: methyl (4Z,27E,29R)-29-hydroxy-18-methylhentriaconta-4,27-dien-2,30-diynoate Traditional Name: (4Z,27E,29R)-29-hydroxy-18-methyl-hentriaconta-4,27-dien-2,30-diynoic acid methyl ester Formula: C33H54O3 MolecularWeight: 498.78006

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC=CC#CC(=O)OC)CCCCCCCCC=CC(C#C)O

Isomeric SMILES

CC(CCCCCCCCCCCC/C=C\C#CC(=O)OC)CCCCCCCC/C=C/[C@H](C#C)O

InChI

InChI=1S/C33H54O3/c1-4-32(34)29-25-21-17-14-13-16-20-24-28-31(2)27-23-19-15-11-9-7-5-6-8-10-12-18-22-26-30-33(35)36-3/h1,18,22,25,29,31-32,34H,5-17,19-21,23-24,27-28H2,2-3H3/b22-18-,29-25+/t31?,32-/m0/s1