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(1S,6R,7S)-2,10-Bisaboladien-1-ol
SpectraBase Compound ID D8PeYsaJY58
InChI InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-16H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1
InChIKey ZOYAMQNIYAMHTE-RRFJBIMHSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AZMl1F9KrZ
Name (1S,6R,7S)-2,10-Bisaboladien-1-ol
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
GC Oven Program Oven temp 270oC, Splitless or cool-on-column injector
InChI InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-16H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1
InChIKey ZOYAMQNIYAMHTE-RRFJBIMHSA-N
Instrument Name Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00517
Molecular Weight 222.372 g/mol
Optical Rotation [a]D20 = -157 (c = 1.08, CHCl3)
SMILES O[C@@]1(C=C(CC[C@@]1([C@](CCC=C(C)C)(C)[H])[H])C)[H]
SPLASH splash10-00kf-9700000000-5f64fb48dbe4299c9f96
Source of Spectrum G4-83-2286-13
Wiley ID 1876899