![17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOPROPYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE](/api/spectrum/4LSrIuO4wS6/structure.png?h=300&w=458 "17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOPROPYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE")
| SpectraBase Compound ID | FVzlRQZBRwf |
|---|---|
| InChI | InChI=1S/C29H39N5O5/c1-27-12-8-20(35)16-18(27)4-6-21-23(27)9-13-28(2)24(21)10-14-29(28,37)11-3-15-31-26(36)22-17-19(32-33-30)5-7-25(22)34(38)39/h5,7,17-18,21,23-24,37H,3-4,6,8-16H2,1-2H3,(H,31,36)/t18-,21+,23-,24-,27-,28-,29-/m0/s1 |
| InChIKey | UBAWBPCBYWUQQV-QFWFYYPWSA-N |
| Mol Weight | 537.7 g/mol |
| Molecular Formula | C29H39N5O5 |
| Exact Mass | 537.295119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LSrIuO4wS6 |
|---|---|
| Name | 17-ALPHA-[(N-5-AZIDO-2-NITROBENZOYL)-AMIDOPROPYL]-17-BETA-HYDROXY-5-ALPHA-ANDROSTAN-3-ONE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H39N5O5 |
| InChI | InChI=1S/C29H39N5O5/c1-27-12-8-20(35)16-18(27)4-6-21-23(27)9-13-28(2)24(21)10-14-29(28,37)11-3-15-31-26(36)22-17-19(32-33-30)5-7-25(22)34(38)39/h5,7,17-18,21,23-24,37H,3-4,6,8-16H2,1-2H3,(H,31,36)/t18-,21+,23-,24-,27-,28-,29-/m0/s1 |
| InChIKey | UBAWBPCBYWUQQV-QFWFYYPWSA-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 | 537.659 g/mol |
| Sample ID | 968691 |
| Solvent | CDCl3 |