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17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
SpectraBase Compound ID 1JRQDFdi6E3
InChI InChI=1S/C27H37N5O5/c1-25-10-7-18(33)13-16(25)3-5-19-21(25)8-11-26(2)22(19)9-12-27(26,35)15-29-24(34)20-14-17(30-31-28)4-6-23(20)32(36)37/h4,6,14,16,18-19,21-22,33,35H,3,5,7-13,15H2,1-2H3,(H,29,34)/t16-,18-,19+,21-,22-,25-,26-,27+/m0/s1
InChIKey VTCVHTWQKZYEFR-CINRGTIISA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H37N5O5
Exact Mass 511.279469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWxHApPOmx4
Name 17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H37N5O5
InChI InChI=1S/C27H37N5O5/c1-25-10-7-18(33)13-16(25)3-5-19-21(25)8-11-26(2)22(19)9-12-27(26,35)15-29-24(34)20-14-17(30-31-28)4-6-23(20)32(36)37/h4,6,14,16,18-19,21-22,33,35H,3,5,7-13,15H2,1-2H3,(H,29,34)/t16-,18-,19+,21-,22-,25-,26-,27+/m0/s1
InChIKey VTCVHTWQKZYEFR-CINRGTIISA-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 511.621 g/mol
Sample ID 968692
Solvent CDCl3