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ent-Labda-8(17),12Z,14-trien-2.alpha.-ol
SpectraBase Compound ID BVmoOTPDBMF
InChI InChI=1S/C20H32O/c1-7-14(2)8-10-17-15(3)9-11-18-19(4,5)12-16(21)13-20(17,18)6/h7-8,16-18,21H,1,3,9-13H2,2,4-6H3/b14-8-/t16-,17-,18-,20+/m1/s1
InChIKey KIFPWQJEMJLMAS-PRQMMVMVSA-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 DZ9pOyxKkpY
Name ent-Labda-8(17),12Z,14-trien-2.alpha.-ol
Appearance Colorless thick oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-7-14(2)8-10-17-15(3)9-11-18-19(4,5)12-16(21)13-20(17,18)6/h7-8,16-18,21H,1,3,9-13H2,2,4-6H3/b14-8-/t16-,17-,18-,20+/m1/s1
InChIKey KIFPWQJEMJLMAS-PRQMMVMVSA-N
Instrument Name Hewlett-Packard 5973
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np020493g
Molecular Weight 288.475 g/mol
Optical Rotation [a]D22 = -40.3 (c = 0.149, CHCl3)
SMILES O[C@]1(C[C@@]2([C@@](C(C1)(C)C)(CCC([C@]2(C\C=C\(C)C=C)[H])=C)[H])C)[H]
SPLASH splash10-0a5c-9730000000-60e8ce00a52083d12666
Source of Spectrum G4-66-494-1
Wiley ID 1881341