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(+)-2-DEOXYORYZALEXIN_S
SpectraBase Compound ID 2h87OsoWpio
InChI InChI=1S/C20H32O/c1-14-11-16-5-6-17-18(2,13-21)8-4-9-19(17,3)20(16)10-7-15(14)12-20/h11,15-17,21H,4-10,12-13H2,1-3H3/t15-,16+,17+,18-,19+,20-/m1/s1
InChIKey TUSCOQSQOOTGAW-UPQMVPBKSA-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 ILmo1Yr4gGk
Name [(1R,2S,6S,7R,10S,13R)-2,6,12-trimethyltetracyclo[11.2.1.0(1,10).0(2,7)]hexadec-11-en-6-yl]methanol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-14-11-16-5-6-17-18(2,13-21)8-4-9-19(17,3)20(16)10-7-15(14)12-20/h11,15-17,21H,4-10,12-13H2,1-3H3/t15-,16+,17+,18-,19+,20-/m1/s1
InChIKey TUSCOQSQOOTGAW-UPQMVPBKSA-N
Instrument Name Shimadzu GCMS-QP5000
Ionization Type EI
Literature Reference DOI 10.1021/np300518j
Molecular Weight 288.475 g/mol
Optical Rotation [a]25D = +58.5 (c = 1.8, CHCl3)
Reported Formula C20H32O
SMILES OC[C@]1(CCC[C@]2([C@]1(CC[C@@]1([C@@]22C[C@@](CC2)(C(=C1)C)[H])[H])[H])C)C
SPLASH splash10-0a59-8920000000-88051c019b75083ae5c9
Source of Spectrum G4-75-1949-(+)-1
Wiley ID 1867525