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(1R,3S,5S,6R,7R,8S,9S,12S)-3-Ethoxy-12-isopropyl-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-6-ol
SpectraBase Compound ID AwknaQ0P0BJ
InChI InChI=1S/C17H28O3/c1-5-19-17-8-11-14(18)12(17)13-15(20-17)10(9(2)3)6-7-16(11,13)4/h9-15,18H,5-8H2,1-4H3/t10-,11-,12+,13-,14+,15+,16+,17-/m0/s1
InChIKey QJLMQSNLJVRDSD-GYAJKYFMSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e6VHL2ysS
Name (1R,3S,5S,6R,7R,8S,9S,12S)-3-Ethoxy-12-isopropyl-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-6-ol
Alternate Name(s) (1R,2R,3R,4R,6S,8R,9S,12R)-6-ethoxy-9-isopropyl-12-methyl-7-oxatetracyclo[6.4.0.0(2,6).0(4,12)]dodecan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-5-19-17-8-11-14(18)12(17)13-15(20-17)10(9(2)3)6-7-16(11,13)4/h9-15,18H,5-8H2,1-4H3/t10-,11-,12+,13-,14+,15+,16+,17-/m0/s1
InChIKey QJLMQSNLJVRDSD-GYAJKYFMSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@]1([C@@]2([C@]3(O[C@@]4([C@@](CC[C@@]([C@]1(C3)[H])(C)[C@@]24[H])(C(C)C)[H])[H])OCC)[H])[H]
SPLASH splash10-0006-9510000000-a96e9386da0e8ac6617b
Source of Spectrum AH-125-1007-23
Wiley ID 1284213