|
|
OXP-972 / 9,10-epoxy-18:1 n-6 / 9,10-epoxy-c12-Octadecenoic acid ME |
Names: Methyl 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate; 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid methyl ester; 9,10-epoxy-12Z-octadecenoic acid methyl ester; Coronaric acid methyl ester
Formula: C19H34O3
Molar mass: 310.476 Da
Monoisotopic mass: 310.251 Da
SMILES: CCCCC/C=C\CC1C(CCCCCCCC(=O)OC)O1
InChI Key: JCJMEMDHUZYVMB-FLIBITNWSA-N
InChI: 1S/C19H34O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h8,11,17-18H,3-7,9-10,12-16H2,1-2H3/b11-8-
Typical retention indexes:
- ECL on BPX70: 24.770
- ECL on Wax: 22.338
- ECL on 5% phenyl: 19.482
- ECL on Rxi-1: 19.285
- KI on Wax: 2867
- KI on 5% phenyl: 2277
Names: 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid; 9,10-epoxy-12Z-Octadecenoic acid; Coronaric acid
Formula: C18H32O3
Molar mass: 296.449 Da
SMILES: CCCCC\C=C/CC1OC1CCCCCCCC(O)=O
InChI Key: FBUKMFOXMZRGRB-YFHOEESVSA-N
InChI: 1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
Lipid Maps code: LMFA02000037
|
Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |