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

View entire compound with spectra: 1 MS (GC)

2-(Dimethylamino)ethyl (E)-(1R*,4aS*,10S*,10aS*)-10-Hydroxy-7-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-ylideneacetate
SpectraBase Compound ID KLuMS3oZ2Dt
InChI InChI=1S/C22H31NO4/c1-14-15(13-21(25)27-10-9-23(2)3)5-7-19-18-8-6-17(26-4)11-16(18)12-20(24)22(14)19/h6,8,11,13-14,19-20,22,24H,5,7,9-10,12H2,1-4H3/b15-13+/t14-,19+,20-,22-/m0/s1
InChIKey NMPPWDFKOBKUDT-YKSAVWFMSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyvxQGkwXpb
Name 2-(Dimethylamino)ethyl (E)-(1R*,4aS*,10S*,10aS*)-10-Hydroxy-7-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-ylideneacetate
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Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-14-15(13-21(25)27-10-9-23(2)3)5-7-19-18-8-6-17(26-4)11-16(18)12-20(24)22(14)19/h6,8,11,13-14,19-20,22,24H,5,7,9-10,12H2,1-4H3/b15-13+/t14-,19+,20-,22-/m0/s1
InChIKey NMPPWDFKOBKUDT-YKSAVWFMSA-N
Molecular Weight 373.493 g/mol
SMILES O[C@@]1([C@@]2([C@@](c3c(C1)cc(cc3)OC)(CC\C(=C/C(=O)OCCN(C)C)[C@@]2(C)[H])[H])[H])[H]
SPLASH splash10-0ab9-9000000000-73e84d5c7229ecd9c97b
Source of Spectrum F-47-7974-12
Synonyms 2-(dimethylamino)ethyl (2E)-((1R,4aS,10S,10aS)-10-hydroxy-7-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenylidene)ethanoate
Wiley ID 1356174