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(3R,7R,11R,14R)-2-Oxovalparene [3,7,11-trimethyl-14-(propen-2-yl)tricyclo[7.5.0.0(7,8)]tetradecan-2-one]
SpectraBase Compound ID B1HWWFJISQh
InChI InChI=1S/C20H32O/c1-13(2)15-8-11-20(5)16(15)9-10-19(4)12-17(21)14(3)6-7-18(19)20/h14-16,18H,1,6-12H2,2-5H3/t14-,15+,16?,18?,19-,20-/m1/s1
InChIKey CJBHBAQOWRRCES-YRMIFGAXSA-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 8tT5QWdDfwj
Name (3R,7R,11R,14R)-2-Oxovalparene [3,7,11-trimethyl-14-(propen-2-yl)tricyclo[7.5.0.0(7,8)]tetradecan-2-one]
Alternate Name(s) (3R,5aR,8R,10bR)-3-isopropenyl-5a,8,10b-trimethyldodecahydrocyclohepta[e]inden-7(1H)-one 2-Oxovalparene[3,7,11-trimethyl-14-(propen-2-yl)tricyclo[7.5.0.0(7,8)]tetradecan-2-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(2)15-8-11-20(5)16(15)9-10-19(4)12-17(21)14(3)6-7-18(19)20/h14-16,18H,1,6-12H2,2-5H3/t14-,15+,16?,18?,19-,20-/m1/s1
InChIKey CJBHBAQOWRRCES-YRMIFGAXSA-N
Molecular Weight 288.475 g/mol
SMILES [C@]12(C([C@](C(=C)C)(CC2)[H])CC[C@]2(C1CC[C@@](C)(C(C2)=O)[H])C)C
SPLASH splash10-06r7-5940000000-f16e4f2b150c02cc7ed2
Source of Spectrum AT-31-4504-3
Wiley ID 835776