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12,13-Bisepieupalmeroic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

12,13-Bisepieupalmeroic acid
SpectraBase Compound ID HfTBB17bUp6
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23)11-16(25-18)20(4,24)10-6-8-12/h8,13,15-18,21,24H,3,5-7,9-11H2,1-2,4H3,(H,22,23)/b12-8+/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey ABTAQJSUUVNLJO-JJFWNEBZSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dAtslWLdDk
Name 12,13-Bisepieupalmeroic acid
Alternate Name(s) 2-[(1S,2R,5E,10S,11R,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-2-propenoic acid 2-[(1S,2R,5E,10S,11R,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoic acid 2-[(1S,2R,5E,10S,11R,12R,13S)-2,6,10-trimethyl-2,11-bis(oxidanyl)-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoic acid
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Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23)11-16(25-18)20(4,24)10-6-8-12/h8,13,15-18,21,24H,3,5-7,9-11H2,1-2,4H3,(H,22,23)/b12-8+/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey ABTAQJSUUVNLJO-JJFWNEBZSA-N
Molecular Weight 352.471 g/mol
SMILES OC(C([C@]1([C@@]2([C@@]([C@](CCC\C(=C\CC[C@]([C@](C1)(O2)[H])(O)C)C)(C)[H])(O)[H])[H])[H])=C)=O
SPLASH splash10-0a4j-9003000000-d77e71247de8d89bd731
Source of Spectrum J-66-654-12
Wiley ID 1534330