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17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOPROPYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
SpectraBase Compound ID Dd0QDtN8tuT
InChI InChI=1S/C30H45N5O5/c1-27-15-16-30(39-3,40-4)19-20(27)6-8-22-23(27)10-13-28(2)24(22)11-14-29(28,36)12-5-17-32-25-9-7-21(33-34-31)18-26(25)35(37)38/h7,9,18,20,22-24,32,36H,5-6,8,10-17,19H2,1-4H3/t20-,22+,23-,24-,27-,28-,29-/m0/s1
InChIKey JWTJTIPBUKHOAJ-CUPDOHTQSA-N
Mol Weight 555.7 g/mol
Molecular Formula C30H45N5O5
Exact Mass 555.34207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbPpjJyR0ni
Name 17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOPROPYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H45N5O5
InChI InChI=1S/C30H45N5O5/c1-27-15-16-30(39-3,40-4)19-20(27)6-8-22-23(27)10-13-28(2)24(22)11-14-29(28,36)12-5-17-32-25-9-7-21(33-34-31)18-26(25)35(37)38/h7,9,18,20,22-24,32,36H,5-6,8,10-17,19H2,1-4H3/t20-,22+,23-,24-,27-,28-,29-/m0/s1
InChIKey JWTJTIPBUKHOAJ-CUPDOHTQSA-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 555.718 g/mol
Sample ID 968706
Solvent CDCl3