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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8l0JXGrSA2C
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
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1([C@@]2([C@@](c3c(C1)cc(cc3)OC)(CC\C(=C/C(=O)OCCN(C)C)[C@@]2(CC)[H])[H])[H])[H]
SPLASH splash10-0ab9-9000000000-f9ee614fb997c64c116a
Source of Spectrum F-47-7976-14
Synonyms 2-(dimethylamino)ethyl (2E)-((1R,4aS,10S,10aS)-1-ethyl-10-hydroxy-7-methoxy-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenylidene)ethanoate
Wiley ID 1363444