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8(17),13-Labdadien-12,15-olid-19-oic acid

View entire compound with spectra: 1 MS (GC)

8(17),13-Labdadien-12,15-olid-19-oic acid
SpectraBase Compound ID Cxv4m1Ei9r1
InChI InChI=1S/C20H28O4/c1-12-10-18(23)24-16(12)11-14-15(22)6-7-17-19(3,13(2)21)8-5-9-20(14,17)4/h10,14,16-17H,5-9,11H2,1-4H3/t14?,16?,17-,19+,20+/m0/s1
InChIKey DTUSFWBFFXZGPD-SJTIBJBPSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DW3rJpsdNd5
Name 8(17),13-Labdadien-12,15-olid-19-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12-10-18(23)24-16(12)11-14-15(22)6-7-17-19(3,13(2)21)8-5-9-20(14,17)4/h10,14,16-17H,5-9,11H2,1-4H3/t14?,16?,17-,19+,20+/m0/s1
InChIKey DTUSFWBFFXZGPD-SJTIBJBPSA-N
Molecular Weight 332.440 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)C)(CCC2)C)(CCC(C1CC1OC(=O)C=C1C)=O)[H])C
SPLASH splash10-00di-0069000000-b014910fd2530c21e8cf
Source of Spectrum E2-50-500-2
Wiley ID 1555848