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Calyculone E

View entire compound with spectra: 2 MS (GC)

Calyculone E
SpectraBase Compound ID CIVqzzEd9rh
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-CWUOTRDJSA-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 5t8buAzChFA
Name Calyculone E
Alternate Name(s) (2S,11R)-2-isopropenyl-4-isopropyl-7,11-dimethyl-3,7-cyclododecadien-1-one Calyculone F
CAS Registry Number 130694-34-7
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-CWUOTRDJSA-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-0910000000-06f0e80571887099a6e9
Source of Spectrum J-56-1232-2
Wiley ID 1292290