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8,15-Labdanediol, ac derivative

View entire compound with spectra: 1 NMR

8,15-Labdanediol, ac derivative
SpectraBase Compound ID BHCI5mLbg2L
InChI InChI=1S/C22H40O3/c1-16(11-15-25-17(2)23)8-9-19-21(5)13-7-12-20(3,4)18(21)10-14-22(19,6)24/h16,18-19,24H,7-15H2,1-6H3/t16?,18?,19?,21?,22-/m1/s1
InChIKey NZKLGQRMNDHSPV-MNAVCZCDSA-N
Mol Weight 352.6 g/mol
Molecular Formula C22H40O3
Exact Mass 352.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bnnf2zIOmYi
Name 8,15-Labdanediol, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 352.297745145 u
Formula C22H40O3
InChI InChI=1S/C22H40O3/c1-16(11-15-25-17(2)23)8-9-19-21(5)13-7-12-20(3,4)18(21)10-14-22(19,6)24/h16,18-19,24H,7-15H2,1-6H3/t16?,18?,19?,21?,22-/m1/s1
InChIKey NZKLGQRMNDHSPV-MNAVCZCDSA-N
Molecular Weight 352.559 g/mol
SMILES C1([C@@](CCC2C1(C)CCCC2(C)C)(O)C)CCC(CCOC(=O)C)C