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(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
SpectraBase Compound ID D3u9iAv0FOW
InChI InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1
InChIKey KZHMFCYCMBPVGZ-JFZLUAFOSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16j4XghtpEV
Name (1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1
InChIKey KZHMFCYCMBPVGZ-JFZLUAFOSA-N
Instrument Name Hewlett-Packard 5973
Ionization Type EI
Literature Reference DOI 10.1021/np1006586
Molecular Weight 272.476 g/mol
Optical Rotation [a]D20 = +41.0 (c = 0.10, CHCl3);
Reported Formula C20H32
SMILES C=C([C@@]1([C@]2([C@@](CC1)(C)C\C=C/(C)CC\C=C\(CC2)C)[H])[H])C
SPLASH splash10-0ael-7920000000-31137a4530b84da6c1bd
Source of Spectrum G4-74-220-4
Wiley ID 1849048