(E,14S,20R)-20-methyl-14-oxidanyl-octacos-17-enoic acid

Systemtic Name: (E,14S,20R)-20-methyl-14-oxidanyl-octacos-17-enoic acid Openeye Name: (E,14S,20R)-14-hydroxy-20-methyl-octacos-17-enoic acid CAS Name: (E,14S,20R)-14-hydroxy-20-methyl-17-octacosenoic acid IUPAC Name: (E,14S,20R)-14-hydroxy-20-methyloctacos-17-enoic acid Traditional Name: (E,14S,20R)-14-hydroxy-20-methyl-octacos-17-enoic acid Formula: C29H56O3 MolecularWeight: 452.75314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CC=CCCC(CCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCC[C@@H](C)C/C=C/CC[C@H](CCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C29H56O3/c1-3-4-5-6-13-17-22-27(2)23-18-16-20-25-28(30)24-19-14-11-9-7-8-10-12-15-21-26-29(31)32/h16,18,27-28,30H,3-15,17,19-26H2,1-2H3,(H,31,32)/b18-16+/t27-,28+/m1/s1