For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylidene-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-ol
SpectraBase Compound ID 6X579ecrUb4
InChI InChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7+/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey JRIWYQNERQUJOM-GMYJPDBUSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jf4hqyjXizz
Name (1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylidene-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-ol
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7+/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey JRIWYQNERQUJOM-GMYJPDBUSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302542h
Optical Rotation [a]D26 = -37.6 (c = 1.00, CHCl3)
Quality 161
Reported Formula C20H32O2
SMILES O[C@]1([C@]2([C@]3([C@](C(CC[C@@]3(C(C)C)[H])=C)([C@](O2)(C\C(=C\CC1)C)[H])[H])[H])[H])C
SPLASH splash10-0a6r-9832000000-43075f92aa9157187b5b
Source of Spectrum JOC-78-694-E-1 (DOI: 10.1021/jo302542h)
Thin-Layer Chromatography 0.64 (petroleum ether/diethyl ether, 1:1)
Wiley ID 1911729