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(1R,4aS)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 44FVdXmmuSM
InChI InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1
InChIKey URPBIQPJABGDJD-VTVVEXCCSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hhe22Iyw39
Name (1R,4aS)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18?,20-,21-/m1/s1
InChIKey URPBIQPJABGDJD-VTVVEXCCSA-N
Literature Reference Author J.M.M.DELCORRAL,M.GORDALIZA,M.A.SALINERO,A.SANFELICIANO
Literature Reference Citation MAGN.RES.CHEM.,32,774(1994)
Literature Reference DOI 10.1002/mrc.1260321211
Molecular Weight 328.452 g/mol
Solvent CDCl3
Source File Reference UWGE184