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(1S,6S,9R,13R,17R,19S)-6,13,19-Trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-yn-7-one
SpectraBase Compound ID 5me9umWEu6x
InChI InChI=1S/C25H40O3/c1-6-10-22-16-19(3)15-18(2)11-9-13-23-17-21(5)24(27-23)14-8-7-12-20(4)25(26)28-22/h18,20-24H,3,6-8,10,12-17H2,1-2,4-5H3/t18-,20-,21-,22+,23-,24-/m0/s1
InChIKey CDENCLBBJHMKIP-CLJXQSCZSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vuwoIlHlr4
Name (1S,6S,9R,13R,17R,19S)-6,13,19-Trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-yn-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-6-10-22-16-19(3)15-18(2)11-9-13-23-17-21(5)24(27-23)14-8-7-12-20(4)25(26)28-22/h18,20-24H,3,6-8,10,12-17H2,1-2,4-5H3/t18-,20-,21-,22+,23-,24-/m0/s1
InChIKey CDENCLBBJHMKIP-CLJXQSCZSA-N
Molecular Weight 388.592 g/mol
SMILES [C@@]12(O[C@]([H])(C[C@@]2(C)[H])CC#C[C@@](CC(=C)C[C@](OC(=O)[C@@](C)(CCCC1)[H])(CCC)[H])(C)[H])[H]
SPLASH splash10-0cg2-0901000000-8901c6205cbee58625d1
Source of Spectrum ACI-52-SM19-31
Wiley ID 1781851