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1,3,4,9,10,10a-Hexahydro-6-hydroxy-1,1-dimethyl-7-(methylethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-dione

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1,3,4,9,10,10a-Hexahydro-6-hydroxy-1,1-dimethyl-7-(methylethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-dione
SpectraBase Compound ID 7Sm7pjgQMy0
InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15H,5-7,9-10H2,1-4H3/t14?,15-,20?/m0/s1
InChIKey MCRKHQBQOAINHY-CHWWFWEZSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaJmtZ5BbG0
Name 1,3,4,9,10,10A-Hexahydro-6-hydroxy-1,1-dimethyl-7-(methylethyl)-2H-9,4A-(epoxymethano)phenanthrene-5,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.188194694 u
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15H,5-7,9-10H2,1-4H3/t14?,15-,20?/m0/s1
InChIKey MCRKHQBQOAINHY-CHWWFWEZSA-N
SMILES C12=C(C=C(C(C2=O)=O)C(C)C)C2OCC11[C@@](C2)(C(C)(C)CCC1)[H]