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16,17-Dihydroxykauran-18-oic acid, o,o,o-tris-methyl
SpectraBase Compound ID IfpbjKefegg
InChI InChI=1S/C23H38O4/c1-20-10-6-11-21(2,19(24)26-4)17(20)9-12-22-13-16(7-8-18(20)22)23(14-22,27-5)15-25-3/h16-18H,6-15H2,1-5H3/t16-,17+,18+,20-,21-,22+,23+/m1/s1
InChIKey TZYAZCVGZAOQKS-LIASLNQGSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ylza2A3NW5
Name 16,17-Dihydroxykauran-18-oic acid, o,o,o-tris-methyl
Comments Computed using HOSE algorithm
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Exact Mass 378.277009700 u
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-20-10-6-11-21(2,19(24)26-4)17(20)9-12-22-13-16(7-8-18(20)22)23(14-22,27-5)15-25-3/h16-18H,6-15H2,1-5H3/t16-,17+,18+,20-,21-,22+,23+/m1/s1
InChIKey TZYAZCVGZAOQKS-LIASLNQGSA-N
Molecular Weight 378.553 g/mol
SMILES C([C@@]1([C@]2(C[C@@]3(CC[C@@]4([C@@](CCC[C@@]4(C)[C@]3([H])CC2)(C(=O)OC)C)[H])C1)[H])OC)OC