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14,15,16-Trinor-8(17)-labdene-13,19-dioic acid dimethyl ester
SpectraBase Compound ID 1lwoGgMbest
InChI InChI=1S/C19H30O4/c1-13-7-9-15-18(2,14(13)8-10-16(20)22-4)11-6-12-19(15,3)17(21)23-5/h14-15H,1,6-12H2,2-5H3/t14-,15+,18+,19-/m0/s1
InChIKey DYMZOHSPZXXNNT-SFUIVIKGSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdJcMkv4eco
Name 14,15,16-Trinor-8(17)-labdene-13,19-dioic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-13-7-9-15-18(2,14(13)8-10-16(20)22-4)11-6-12-19(15,3)17(21)23-5/h14-15H,1,6-12H2,2-5H3/t14-,15+,18+,19-/m0/s1
InChIKey DYMZOHSPZXXNNT-SFUIVIKGSA-N
Instrument Name Agilent 6890 N-5973 N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000201
Molecular Weight 322.445 g/mol
SMILES C1C[C@]2([C@]([C@](C1)(C(OC)=O)C)(CCC([C@@]2(CCC(=O)OC)[H])=C)[H])C
SPLASH splash10-0229-4930000000-ba65a18c84a562d80d80
Source of Spectrum CBD-17-SM2-Fig. S2
Wiley ID 1855951