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(4aS,10aR)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-one
SpectraBase Compound ID GRQFnrUdmsK
InChI InChI=1S/C20H26O2/c1-12(2)14-6-9-17-15(19(14)22-5)7-8-16-13(3)18(21)10-11-20(16,17)4/h6,9,12,16H,3,7-8,10-11H2,1-2,4-5H3/t16-,20-/m0/s1
InChIKey CRUJDBOJVHPTJY-JXFKEZNVSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xjjzGHiEMO
Name (4as,10Ar)-7-isopropyl-8-methoxy-4A-methyl-1-methylene-3,4,4A,9,10,10A-hexahydrophenanthren-2(1H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12(2)14-6-9-17-15(19(14)22-5)7-8-16-13(3)18(21)10-11-20(16,17)4/h6,9,12,16H,3,7-8,10-11H2,1-2,4-5H3/t16-,20-/m0/s1
InChIKey CRUJDBOJVHPTJY-JXFKEZNVSA-N
SMILES [C@]12(C3=C(C(OC)=C(C=C3)C(C)C)CC[C@]1(C(=C)C(CC2)=O)[H])C