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(1R,4aS)-6-methoxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylic acid ethyl ester
SpectraBase Compound ID H38DAfKM735
InChI InChI=1S/C23H32O4/c1-7-27-21(25)23(5)19-9-8-15-12-16(14(2)3)18(26-6)13-17(15)22(19,4)11-10-20(23)24/h12-14,19H,7-11H2,1-6H3/t19?,22-,23-/m1/s1
InChIKey HQBRROJAHIVJIN-QENMJEOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2knggXV7KG2
Name (1R,4as)-6-Methoxy-1,4A-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10A-tetrahydro-3H-phenanthrene-1-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-7-27-21(25)23(5)19-9-8-15-12-16(14(2)3)18(26-6)13-17(15)22(19,4)11-10-20(23)24/h12-14,19H,7-11H2,1-6H3/t19?,22-,23-/m1/s1
InChIKey HQBRROJAHIVJIN-QENMJEOYSA-N
Molecular Weight 372.505 g/mol
SMILES [C@@]1(C2[C@](C=3C=C(OC)C(=CC3CC2)C(C)C)(C)CCC1=O)(C(=O)OCC)C