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17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOPROPYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
SpectraBase Compound ID 5OYJyAz2LSf
InChI InChI=1S/C31H45N5O6/c1-28-15-16-31(41-3,42-4)19-20(28)6-8-22-24(28)10-13-29(2)25(22)11-14-30(29,38)12-5-17-33-27(37)23-18-21(34-35-32)7-9-26(23)36(39)40/h7,9,18,20,22,24-25,38H,5-6,8,10-17,19H2,1-4H3,(H,33,37)/t20-,22+,24-,25-,28-,29-,30-/m0/s1
InChIKey QXUCWYVCFIGAQF-XIUBKOSJSA-N
Mol Weight 583.7 g/mol
Molecular Formula C31H45N5O6
Exact Mass 583.336984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIFFzKw2hmU
Name 17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOPROPYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H45N5O6
InChI InChI=1S/C31H45N5O6/c1-28-15-16-31(41-3,42-4)19-20(28)6-8-22-24(28)10-13-29(2)25(22)11-14-30(29,38)12-5-17-33-27(37)23-18-21(34-35-32)7-9-26(23)36(39)40/h7,9,18,20,22,24-25,38H,5-6,8,10-17,19H2,1-4H3,(H,33,37)/t20-,22+,24-,25-,28-,29-,30-/m0/s1
InChIKey QXUCWYVCFIGAQF-XIUBKOSJSA-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 583.728 g/mol
Sample ID 968697
Solvent C5D5N