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7-Ethenyl-1,1,7-trimethyl-9-oxo-2,3,4,4B,5,6,10,10A-octahydrophenanthrene-4A-carboxylic acid, methyl ester

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7-Ethenyl-1,1,7-trimethyl-9-oxo-2,3,4,4B,5,6,10,10A-octahydrophenanthrene-4A-carboxylic acid, methyl ester
SpectraBase Compound ID IKJICaKxa2n
InChI InChI=1S/C21H30O3/c1-6-20(4)11-8-15-14(13-20)16(22)12-17-19(2,3)9-7-10-21(15,17)18(23)24-5/h6,13,15,17H,1,7-12H2,2-5H3
InChIKey SGWGAQPYYSUTKH-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLlyzOg8R7x
Name 7-Ethenyl-1,1,7-trimethyl-9-oxo-2,3,4,4B,5,6,10,10A-octahydrophenanthrene-4A-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-6-20(4)11-8-15-14(13-20)16(22)12-17-19(2,3)9-7-10-21(15,17)18(23)24-5/h6,13,15,17H,1,7-12H2,2-5H3
InChIKey SGWGAQPYYSUTKH-UHFFFAOYSA-N
Molecular Weight 330.468 g/mol
SMILES C1CC(C2CC(C=3C(C2(C1)C(=O)OC)CCC(C3)(C)C=C)=O)(C)C