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5-Pregnen-3.beta.-ol-21-[N-aziridylmethyl]-20-one

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Pregnen-3.beta.-ol-21-[N-aziridylmethyl]-20-one
SpectraBase Compound ID 3V72MDTI32L
InChI InChI=1S/C24H37NO2/c1-23-10-7-17(26)15-16(23)3-4-18-19-5-6-21(22(27)9-12-25-13-14-25)24(19,2)11-8-20(18)23/h3,17-21,26H,4-15H2,1-2H3
InChIKey GGLKSUOJPVZSCF-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C24H37NO2
Exact Mass 371.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4z4Oown2NOk
Name 5-Pregnen-3.beta.-ol-21-[N-aziridylmethyl]-20-one
Comments Computed using HOSE algorithm
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Exact Mass 371.282429433 u
Formula C24H37NO2
InChI InChI=1S/C24H37NO2/c1-23-10-7-17(26)15-16(23)3-4-18-19-5-6-21(22(27)9-12-25-13-14-25)24(19,2)11-8-20(18)23/h3,17-21,26H,4-15H2,1-2H3
InChIKey GGLKSUOJPVZSCF-UHFFFAOYSA-N
Molecular Weight 371.565 g/mol
SMILES C1CC(C(CCN2CC2)=O)C2(C1C1C(C3(C(=CC1)CC(O)CC3)C)CC2)C