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(5.alpha.,10 .beta.)-17-Hydroxykauran-19-oic acid, o,o'-dimethyl
SpectraBase Compound ID L0UmoZ9yKKj
InChI InChI=1S/C22H36O3/c1-20-9-5-10-21(2,19(23)25-4)17(20)8-11-22-12-15(6-7-18(20)22)16(13-22)14-24-3/h15-18H,5-14H2,1-4H3/t15-,16-,17-,18+,20+,21+,22+/m1/s1
InChIKey SBBLLHCQAXONJM-XUOLSHNYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LDMfUokqbI
Name (5.alpha.,10 .beta.)-17-Hydroxykauran-19-oic acid, o,o'-dimethyl
Comments Computed using HOSE algorithm
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Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-20-9-5-10-21(2,19(23)25-4)17(20)8-11-22-12-15(6-7-18(20)22)16(13-22)14-24-3/h15-18H,5-14H2,1-4H3/t15-,16-,17-,18+,20+,21+,22+/m1/s1
InChIKey SBBLLHCQAXONJM-XUOLSHNYSA-N
Molecular Weight 348.527 g/mol
SMILES C([C@@]1([C@]2(C[C@@]3(CC[C@]4([C@@](CCC[C@]4(C)[C@]3([H])CC2)(C)C(=O)OC)[H])C1)[H])[H])OC