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(1E,3Z)-11,12-epoxycembra-1,3-dien-6-one
SpectraBase Compound ID 4VlGXzzD8gE
InChI InChI=1S/C20H32O2/c1-14(2)17-8-6-15(3)12-18(21)13-16(4)7-9-19-20(5,22-19)11-10-17/h6,8,14,16,19H,7,9-13H2,1-5H3/b15-6-,17-8+/t16?,19-,20-/m1/s1
InChIKey LDROFFAQTPADQI-MCQUKXBOSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lfmgy7NgfYk
Name (1E,3Z)-11,12-epoxycembra-1,3-dien-6-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(2)17-8-6-15(3)12-18(21)13-16(4)7-9-19-20(5,22-19)11-10-17/h6,8,14,16,19H,7,9-13H2,1-5H3/b15-6-,17-8+/t16?,19-,20-/m1/s1
InChIKey LDROFFAQTPADQI-MCQUKXBOSA-N
Instrument Name VG 70-25S
Ionization Type EI
Literature Reference DOI 10.1021/np030091o
Molecular Weight 304.474 g/mol
Optical Rotation [a]D = +150.9 (c = 0.21, CHCl3)
Reported Formula C20H32O2
SMILES C1\C(=C/C=C\(CC(CC(CC[C@@]2([C@@](C1)(O2)C)[H])C)=O)C)C(C)C
SPLASH splash10-0lk9-3900000000-ad139dbe8a1098425e91
Source of Spectrum G4-66-1286-1
Wiley ID 1883978