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Calyculone G
SpectraBase Compound ID 2vML1Vl2jXm
InChI InChI=1S/C20H32O/c1-14(2)18-11-10-16(5)8-7-9-17(6)12-20(21)19(13-18)15(3)4/h8,13-14,17,19H,3,7,9-12H2,1-2,4-6H3/b16-8+,18-13+/t17-,19-/m1/s1
InChIKey ZJQBKSBFISFIPH-MJVNGILPSA-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 JE05WEkVgpG
Name Calyculone G
Alternate Name(s) (2R,11R)-2-isopropenyl-4-isopropyl-7,11-dimethyl-3,7-cyclododecadien-1-one
CAS Registry Number 130694-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-14(2)18-11-10-16(5)8-7-9-17(6)12-20(21)19(13-18)15(3)4/h8,13-14,17,19H,3,7,9-12H2,1-2,4-6H3/b16-8+,18-13+/t17-,19-/m1/s1
InChIKey ZJQBKSBFISFIPH-MJVNGILPSA-N
Molecular Weight 288.475 g/mol
SMILES [C@@]1(\C=C/(CC\C(=C\CC[C@](CC1=O)(C)[H])C)C(C)C)(C(=C)C)[H]
SPLASH splash10-000i-0920000000-6e651e4636df9c6246af
Source of Spectrum J-56-1132-4
Wiley ID 1292292