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Labda-8(20),13-diene-15,19-dioic acid, methyl ester, tms
SpectraBase Compound ID LNctm8UiAkp
InChI InChI=1S/C24H40O4Si/c1-17(16-21(25)27-5)10-12-19-18(2)11-13-20-23(19,3)14-9-15-24(20,4)22(26)28-29(6,7)8/h16,19-20H,2,9-15H2,1,3-8H3/b17-16+/t19-,20+,23+,24-/m0/s1
InChIKey LKQPHKJUXIYWLB-WTKKMZFQSA-N
Mol Weight 420.7 g/mol
Molecular Formula C24H40O4Si
Exact Mass 420.269586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUjGdW6Oq9G
Name Labda-8(20),13-diene-15,19-dioic acid, methyl ester, tms
Comments Computed using HOSE algorithm
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Exact Mass 420.269586299 u
Formula C24H40O4Si
InChI InChI=1S/C24H40O4Si/c1-17(16-21(25)27-5)10-12-19-18(2)11-13-20-23(19,3)14-9-15-24(20,4)22(26)28-29(6,7)8/h16,19-20H,2,9-15H2,1,3-8H3/b17-16+/t19-,20+,23+,24-/m0/s1
InChIKey LKQPHKJUXIYWLB-WTKKMZFQSA-N
Molecular Weight 420.665 g/mol
SMILES C1CC[C@](C)(C(=O)O[Si](C)(C)C)[C@]2([C@@]1(C)[C@](C(CC2)=C)(CC\C(C)=C\C(=O)OC)[H])[H]