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17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
SpectraBase Compound ID 4aaP6EGCz8P
InChI InChI=1S/C29H43N5O5/c1-26-13-14-29(38-3,39-4)18-19(26)5-7-21-22(26)9-11-27(2)23(21)10-12-28(27,35)15-16-31-24-8-6-20(32-33-30)17-25(24)34(36)37/h6,8,17,19,21-23,31,35H,5,7,9-16,18H2,1-4H3/t19-,21+,22-,23-,26-,27-,28+/m0/s1
InChIKey BTBPIIVZZISZID-DAKVUEJDSA-N
Mol Weight 541.7 g/mol
Molecular Formula C29H43N5O5
Exact Mass 541.326419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtjbLLAKAWK
Name 17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H43N5O5
InChI InChI=1S/C29H43N5O5/c1-26-13-14-29(38-3,39-4)18-19(26)5-7-21-22(26)9-11-27(2)23(21)10-12-28(27,35)15-16-31-24-8-6-20(32-33-30)17-25(24)34(36)37/h6,8,17,19,21-23,31,35H,5,7,9-16,18H2,1-4H3/t19-,21+,22-,23-,26-,27-,28+/m0/s1
InChIKey BTBPIIVZZISZID-DAKVUEJDSA-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 541.691 g/mol
Sample ID 968705
Solvent CDCl3