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ELISABETHIN_C
SpectraBase Compound ID LImEzThp4Bt
InChI InChI=1S/C18H28O2/c1-6-16(19)18-14(9-11(2)3)10-13(5)15(18)8-7-12(4)17(18)20/h9,12-15H,6-8,10H2,1-5H3/t12-,13-,14+,15+,18-/m0/s1
InChIKey MPZCKSXAXSTSKM-YPIIOCQESA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP8lomMqgrt
Name Elisabethin C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-6-16(19)18-14(9-11(2)3)10-13(5)15(18)8-7-12(4)17(18)20/h9,12-15H,6-8,10H2,1-5H3/t12-,13-,14+,15+,18-/m0/s1
InChIKey MPZCKSXAXSTSKM-YPIIOCQESA-N
Molecular Weight 276.420 g/mol
SMILES [C@]12([C@](C=C(C)C)(C[C@@]([C@]2(CC[C@@](C1=O)(C)[H])[H])(C)[H])[H])C(=O)CC
SPLASH splash10-014i-9250000000-6d4ca1f21aa9cbffc5ea
Source of Spectrum J-63-7090-3
Synonyms (1S,3S,3aR,5S,7aR)-1,5-dimethyl-3-(2-methylprop-1-enyl)-3a-(1-oxopropyl)-2,3,5,6,7,7a-hexahydro-1H-inden-4-one (1S,3S,3aR,5S,7aR)-1,5-dimethyl-3-(2-methylprop-1-enyl)-3a-propanoyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-one (1S,3S,3aR,5S,7aR)-1,5-dimethyl-3-(2-methylprop-1-enyl)-3a-propionyl-2,3,5,6,7,7a-hexahydro-1H-inden-4-one
Wiley ID 1280514