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2-(Dimethylamino)ethyl (E)-(1R*,4aS*,10S*,10aS*)-1-Ethyl-10-hydroxy-7-methoxy-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-ylideneacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(Dimethylamino)ethyl (E)-(1R*,4aS*,10S*,10aS*)-1-Ethyl-10-hydroxy-7-methoxy-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-ylideneacetate
SpectraBase Compound ID 4G1Z7QF1bMM
InChI InChI=1S/C23H33NO4/c1-5-18-15(14-22(26)28-11-10-24(2)3)6-8-20-19-9-7-17(27-4)12-16(19)13-21(25)23(18)20/h7,9,12,14,18,20-21,23,25H,5-6,8,10-11,13H2,1-4H3/b15-14+/t18-,20+,21-,23-/m0/s1
InChIKey XDCGVPWFMWONFF-PUQSIIHWSA-N
Mol Weight 387.5 g/mol
Molecular Formula C23H33NO4
Exact Mass 387.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYoKqzozCQk
Name 2-(Dimethylamino)ethyl (E)-(1R*,4as*,10S*,10AS*)-1-ethyl-10-hydroxy-7-methoxy-3,4,4A,9,10,10A-hexahydrophenanthren-2(1H)-ylideneacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.240958543 u
Formula C23H33NO4
InChI InChI=1S/C23H33NO4/c1-5-18-15(14-22(26)28-11-10-24(2)3)6-8-20-19-9-7-17(27-4)12-16(19)13-21(25)23(18)20/h7,9,12,14,18,20-21,23,25H,5-6,8,10-11,13H2,1-4H3/b15-14+/t18-,20+,21-,23-/m0/s1
InChIKey XDCGVPWFMWONFF-PUQSIIHWSA-N
Molecular Weight 387.520 g/mol
SMILES [C@]12([C@@]([C@@](O)(CC3=C2C=CC(OC)=C3)[H])([C@@](CC)(\C(CC1)=C\C(=O)OCCN(C)C)[H])[H])[H]