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4-Octadecenoic acid, 7,13-dihydroxy-, ethyl ester, [R-[R*,R*-(E)]]-
SpectraBase Compound ID 2IBeaJmIy3D
InChI InChI=1S/C20H38O4/c1-3-5-8-13-18(21)14-9-6-10-15-19(22)16-11-7-12-17-20(23)24-4-2/h7,11,18-19,21-22H,3-6,8-10,12-17H2,1-2H3/b11-7+/t18-,19-/m1/s1
InChIKey UIJGEROBRKKOOL-BLRGSVSVSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EI6JX5h4Tl
Name 4-Octadecenoic acid, 7,13-dihydroxy-, ethyl ester, [R-[R*,R*-(E)]]-
Alternate Name(s) (4E)-ethyl (R,R)-7,13-dihydroxyoctadec-4-enotate Ethyl (4E,7R,13R)-7,13-dihydroxy-4-octadecenoate
CAS Registry Number 115482-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-3-5-8-13-18(21)14-9-6-10-15-19(22)16-11-7-12-17-20(23)24-4-2/h7,11,18-19,21-22H,3-6,8-10,12-17H2,1-2H3/b11-7+/t18-,19-/m1/s1
InChIKey UIJGEROBRKKOOL-BLRGSVSVSA-N
Molecular Weight 342.520 g/mol
SMILES O[C@](CCCCC[C@](O)(CCCCC)[H])(C\C=C\CCC(=O)OCC)[H]
SPLASH splash10-00kf-6900000000-2ddc6f962c05ee95911c
Source of Spectrum C-110-6218-0
Wiley ID 1336746