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6-E,8-E-DELTA-(8)-SIPHONARIENFURANONE;ISOMER_1
SpectraBase Compound ID 5eoDYcpOqtR
InChI InChI=1S/C20H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12+/t13-,14-,20?/m0/s1
InChIKey KZLGFUZEKMOLGG-NUVJCFTISA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mQWumsFLE0
Name 6E,8E-.delta.8-Siphonarienfuranone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12+/t13-,14-,20?/m0/s1
InChIKey KZLGFUZEKMOLGG-NUVJCFTISA-N
Ionization Type EI
Literature Reference DOI 10.1021/np2009384
Optical Rotation [a]19D = -160 (c = 0.08, CHCl3)
Reported Formula C20H32O3
SMILES OC1(C(C(=C(\C(=C\C(=C\[C@](C[C@](CCC)(C)[H])(C)[H])C)C)O1)C)=O)C
SPLASH splash10-052r-0970000000-0e0da3a115b6e22dd929
Source of Spectrum G4-75-501-2
Wiley ID 1854772