methyl (5R,6S,7E,9E,11E)-15-methoxy-15-methyl-5,6-bis(oxidanyl)icosa-7,9,11-trien-13-ynoate

Systemtic Name: methyl (5R,6S,7E,9E,11E)-15-methoxy-15-methyl-5,6-bis(oxidanyl)icosa-7,9,11-trien-13-ynoate Openeye Name: methyl (5R,6S,7E,9E,11E)-5,6-dihydroxy-15-methoxy-15-methyl-icosa-7,9,11-trien-13-ynoate CAS Name: (5R,6S,7E,9E,11E)-5,6-dihydroxy-15-methoxy-15-methyleicosa-7,9,11-trien-13-ynoic acid methyl ester IUPAC Name: methyl (5R,6S,7E,9E,11E)-5,6-dihydroxy-15-methoxy-15-methylicosa-7,9,11-trien-13-ynoate Traditional Name: (5R,6S,7E,9E,11E)-5,6-dihydroxy-15-methoxy-15-methyl-eicosa-7,9,11-trien-13-ynoic acid methyl ester Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C#CC=CC=CC=CC(C(CCCC(=O)OC)O)O)OC

Isomeric SMILES

CCCCCC(C)(C#C/C=C/C=C/C=C/[C@@H]([C@@H](CCCC(=O)OC)O)O)OC

InChI

InChI=1S/C23H36O5/c1-5-6-12-18-23(2,28-4)19-13-10-8-7-9-11-15-20(24)21(25)16-14-17-22(26)27-3/h7-11,15,20-21,24-25H,5-6,12,14,16-18H2,1-4H3/b9-7+,10-8+,15-11+/t20-,21+,23?/m0/s1