![17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE](/api/spectrum/DjQjtIuuUqp/structure.png?h=300&w=458 "17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE")
| SpectraBase Compound ID | A506k1zP2oQ |
|---|---|
| InChI | InChI=1S/C27H35N5O5/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/h4,6,14,16,19,21-22,35H,3,5,7-13,15H2,1-2H3,(H,29,34)/t16-,19+,21-,22-,25-,26-,27+/m0/s1 |
| InChIKey | UENAWKINPXDCNE-GCSHWCJKSA-N |
| Mol Weight | 509.6 g/mol |
| Molecular Formula | C27H35N5O5 |
| Exact Mass | 509.263819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjQjtIuuUqp |
|---|---|
| Name | 17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOMETHYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H35N5O5 |
| InChI | InChI=1S/C27H35N5O5/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/h4,6,14,16,19,21-22,35H,3,5,7-13,15H2,1-2H3,(H,29,34)/t16-,19+,21-,22-,25-,26-,27+/m0/s1 |
| InChIKey | UENAWKINPXDCNE-GCSHWCJKSA-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 | 509.605 g/mol |
| Sample ID | 968689 |
| Solvent | CDCl3 |