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17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
SpectraBase Compound ID Hizrz1KYnOy
InChI InChI=1S/C29H41N5O6/c1-26-13-14-29(39-3,40-4)16-18(26)5-7-20-22(26)9-11-27(2)23(20)10-12-28(27,36)17-31-25(35)21-15-19(32-33-30)6-8-24(21)34(37)38/h6,8,15,18,20,22-23,36H,5,7,9-14,16-17H2,1-4H3,(H,31,35)/t18-,20+,22-,23-,26-,27-,28+/m0/s1
InChIKey ZWWNWYNLQZQVAQ-SPNMORSLSA-N
Mol Weight 555.7 g/mol
Molecular Formula C29H41N5O6
Exact Mass 555.305684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYMjAM0dEry
Name 17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41N5O6
InChI InChI=1S/C29H41N5O6/c1-26-13-14-29(39-3,40-4)16-18(26)5-7-20-22(26)9-11-27(2)23(20)10-12-28(27,36)17-31-25(35)21-15-19(32-33-30)6-8-24(21)34(37)38/h6,8,15,18,20,22-23,36H,5,7,9-14,16-17H2,1-4H3,(H,31,35)/t18-,20+,22-,23-,26-,27-,28+/m0/s1
InChIKey ZWWNWYNLQZQVAQ-SPNMORSLSA-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 555.674 g/mol
Sample ID 968686
Solvent CDCl3