methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-oxidanyl-icosa-5,8,14-trienoate

Systemtic Name: methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-oxidanyl-icosa-5,8,14-trienoate Openeye Name: methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxy-icosa-5,8,14-trienoate CAS Name: (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxyeicosa-5,8,14-trienoic acid methyl ester IUPAC Name: methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxyicosa-5,8,14-trienoate Traditional Name: (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxy-eicosa-5,8,14-trienoic acid methyl ester Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C1CC1)C(C2CC2)C(C=CCC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCC/C=C\CC(C1CC1)C(C2CC2)[C@H](/C=C\C/C=C\CCCC(=O)OC)O

InChI

InChI=1S/C27H44O3/c1-3-4-5-6-9-12-15-24(22-18-19-22)27(23-20-21-23)25(28)16-13-10-7-8-11-14-17-26(29)30-2/h7-9,12-13,16,22-25,27-28H,3-6,10-11,14-15,17-21H2,1-2H3/b8-7-,12-9-,16-13-/t24?,25-,27?/m0/s1