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Labda-8(17)-13(E)-dien-15-al
SpectraBase Compound ID 9vLa35P3wmq
InChI InChI=1S/C20H32O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,14,17-18H,2,6-10,12-13H2,1,3-5H3/b15-11+/t17-,18-,20+/m0/s1
InChIKey QZIWEZUJYZIRFB-ATPOGHATSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1a6paK8p6h
Name Labda-8(17)-13(E)-dien-15-al
Classification Diterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 288.245315649 u
Formula C20H32O
InChI InChI=1S/C20H32O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,14,17-18H,2,6-10,12-13H2,1,3-5H3/b15-11+/t17-,18-,20+/m0/s1
InChIKey QZIWEZUJYZIRFB-ATPOGHATSA-N
Molecular Weight 288.475 g/mol
Number of Peaks 17
SMILES CC1([C@@]2(CCC(=C)[C@@]([C@]2(CCC1)C)(CC\C(=C\C=O)C)[H])[H])C
SPLASH splash10-0006-9100000000-65d2e23c7a94c5698f89
Source of Spectrum FF-23-123-60 (DOI: 10.1002/ffj.1865)
Synonyms (E)-3-methyl-5-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pent-2-enal (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenal (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal (E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enal
Wiley ID 1775501