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5,16-Epoxy-12-hydroxy-8(17),13(16),14-labdatrien-19-oic acid
SpectraBase Compound ID BQxF6MKRtI3
InChI InChI=1S/C20H28O4/c1-13-5-6-17-19(2,8-4-9-20(17,3)18(22)23)15(13)11-16(21)14-7-10-24-12-14/h7,10,12,15-17,21H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,16-,17+,19+,20-/m0/s1
InChIKey IWZULFHGLAPZMX-OIGVQNGMSA-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 DEnPV6hajOv
Name 5,16-Epoxy-12-hydroxy-8(17),13(16),14-labdatrien-19-oic acid
Alternate Name(s) (1S,4aR,5S,8aR)-5-((S)-2-(furan-3-yl)-2-hydroxyethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-5-6-17-19(2,8-4-9-20(17,3)18(22)23)15(13)11-16(21)14-7-10-24-12-14/h7,10,12,15-17,21H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,16-,17+,19+,20-/m0/s1
InChIKey IWZULFHGLAPZMX-OIGVQNGMSA-N
Literature Reference DOI 10.1002/pca.878
Molecular Weight 332.440 g/mol
SMILES O[C@@](C[C@]1(C(CC[C@]2([C@](C(O)=O)(C)CCC[C@]12C)[H])=C)[H])(c1ccoc1)[H]
SPLASH splash10-022a-0901000000-14a9fadc0f57c6aad3bc
Source of Spectrum PA-17-34-1
Wiley ID 1789519