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17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOETHYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE
SpectraBase Compound ID KWxaw1ltInR
InChI InChI=1S/C27H37N5O4/c1-25-10-7-19(33)15-17(25)3-5-20-21(25)8-11-26(2)22(20)9-12-27(26,34)13-14-29-23-6-4-18(30-31-28)16-24(23)32(35)36/h4,6,16-17,20-22,29,34H,3,5,7-15H2,1-2H3/t17-,20+,21-,22-,25-,26-,27+/m0/s1
InChIKey WFFBPIDBDWNJFE-PPEVIWJBSA-N
Mol Weight 495.6 g/mol
Molecular Formula C27H37N5O4
Exact Mass 495.284555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbxjcupJXVT
Name 17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOETHYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H37N5O4
InChI InChI=1S/C27H37N5O4/c1-25-10-7-19(33)15-17(25)3-5-20-21(25)8-11-26(2)22(20)9-12-27(26,34)13-14-29-23-6-4-18(30-31-28)16-24(23)32(35)36/h4,6,16-17,20-22,29,34H,3,5,7-15H2,1-2H3/t17-,20+,21-,22-,25-,26-,27+/m0/s1
InChIKey WFFBPIDBDWNJFE-PPEVIWJBSA-N
Literature Reference Author E.MAPPUS,C.CHAMBON,B.FENET,M.R.DERAVEL,C.GRENOT,C.Y.CUILLERO N
Literature Reference Citation STEROIDS,65,459(2000)
Molecular Weight 495.622 g/mol
Sample ID 968717
Solvent C5D5N