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9-Methoxy-7-(2-hydroxypropan-2-yl)-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid, methyl ester

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9-Methoxy-7-(2-hydroxypropan-2-yl)-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid, methyl ester
SpectraBase Compound ID 1H9P85zeFRk
InChI InChI=1S/C22H32O4/c1-20(2,24)14-8-9-16-15(12-14)17(25-5)13-18-21(16,3)10-7-11-22(18,4)19(23)26-6/h8-9,12,17-18,24H,7,10-11,13H2,1-6H3
InChIKey QSLIXMOMRLXCTK-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5FnnFR31Z5
Name 9-Methoxy-7-(2-hydroxypropan-2-yl)-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-20(2,24)14-8-9-16-15(12-14)17(25-5)13-18-21(16,3)10-7-11-22(18,4)19(23)26-6/h8-9,12,17-18,24H,7,10-11,13H2,1-6H3
InChIKey QSLIXMOMRLXCTK-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES CC(C)(O)C1=CC=C2C3(C)C(C(C)(C(OC)=O)CCC3)CC(OC)C2=C1