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(+)-(8S)-8-hydroxy-12-nordrimanic acid methyl ester

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

(+)-(8S)-8-hydroxy-12-nordrimanic acid methyl ester
SpectraBase Compound ID CHcxmGbKcn1
InChI InChI=1S/C15H26O3/c1-14(2)8-5-9-15(3)11(14)7-6-10(16)12(15)13(17)18-4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,15-/m0/s1
InChIKey PNORERWVNDPBJT-OHTBPHCPSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pJw27gM6Z7
Name (+)-(8S)-8-hydroxy-12-nordrimanic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 254.188194694 u
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-14(2)8-5-9-15(3)11(14)7-6-10(16)12(15)13(17)18-4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,15-/m0/s1
InChIKey PNORERWVNDPBJT-OHTBPHCPSA-N
Molecular Weight 254.370 g/mol
SMILES [C@@]12([C@@](C(=O)OC)([C@@](O)(CC[C@]2(C(C)(C)CCC1)[H])[H])[H])C