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7-Ethenyl-9-hydroxy-1,4A,7-trimethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid, o,o-bis-methyl

View entire compound with spectra: 1 NMR, and 1 FTIR

7-Ethenyl-9-hydroxy-1,4A,7-trimethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid, o,o-bis-methyl
SpectraBase Compound ID 2DPfprvpfTQ
InChI InChI=1S/C22H34O3/c1-7-20(2)12-9-16-15(14-20)17(24-5)13-18-21(16,3)10-8-11-22(18,4)19(23)25-6/h7,14,16-18H,1,8-13H2,2-6H3
InChIKey ZUSLUFQEEHEEBP-UHFFFAOYSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6qMuvaNEul
Name 7-Ethenyl-9-hydroxy-1,4A,7-trimethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid, o,o-bis-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.250794952 u
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-7-20(2)12-9-16-15(14-20)17(24-5)13-18-21(16,3)10-8-11-22(18,4)19(23)25-6/h7,14,16-18H,1,8-13H2,2-6H3
InChIKey ZUSLUFQEEHEEBP-UHFFFAOYSA-N
Molecular Weight 346.511 g/mol
SMILES COC(C1(C)C2C(C)(CCC1)C1C(C(OC)C2)=CC(C=C)(C)CC1)=O