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3-Hydroxyestra-16,17-seco-1,3,5(10)-trien-17-al

View entire compound with spectra: 1 MS (GC)

3-Hydroxyestra-16,17-seco-1,3,5(10)-trien-17-al
SpectraBase Compound ID 92i6UmFx9u3
InChI InChI=1S/C19H26O2/c1-3-4-18-17-7-5-13-11-14(21)6-8-15(13)16(17)9-10-19(18,2)12-20/h6,8,11-12,16-18,21H,3-5,7,9-10H2,1-2H3/t16-,17-,18+,19-/m1/s1
InChIKey AVTSBRKWZZPCOZ-AKHDSKFASA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bzlb2n4NIdX
Name 3-Hydroxyestra-16,17-seco-1,3,5(10)-trien-17-al
Alternate Name(s) (1S,2S,4aS,10aR)-7-hydroxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxaldehyde (1S,2S,4aS,10aR)-2-methyl-7-oxidanyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carbaldehyde
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Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-3-4-18-17-7-5-13-11-14(21)6-8-15(13)16(17)9-10-19(18,2)12-20/h6,8,11-12,16-18,21H,3-5,7,9-10H2,1-2H3/t16-,17-,18+,19-/m1/s1
InChIKey AVTSBRKWZZPCOZ-AKHDSKFASA-N
Molecular Weight 286.415 g/mol
SMILES Oc1ccc2[C@@]3([C@]([C@@](CCC)([H])[C@](CC3)(C=O)C)(CCc2c1)[H])[H]
SPLASH splash10-000l-0390000000-f07dbf9d4b72263023b5
Source of Spectrum U1-2004-94-6
Wiley ID 1563294