| SpectraBase Compound ID | 1XxuY8HOInJ |
|---|---|
| InChI | InChI=1S/C27H33NO2/c1-3-27(29)16-14-25-24-11-9-20-17-21(28-30-18-19-7-5-4-6-8-19)10-12-22(20)23(24)13-15-26(25,27)2/h1,4-8,17,22-25,29H,9-16,18H2,2H3/b28-21+/t22-,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey | FLOOFVYMWIYALK-VRGOQYRISA-N |
| Mol Weight | 403.6 g/mol |
| Molecular Formula | C27H33NO2 |
| Exact Mass | 403.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ki3AuAWvdj7 |
|---|---|
| Name | (ANTI)-17-BETA-HYDROXY-17-ALPHA-ETHYNYL-4-ESTREN-3-O-BENZYLOXIME |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H33NO2 |
| InChI | InChI=1S/C27H33NO2/c1-3-27(29)16-14-25-24-11-9-20-17-21(28-30-18-19-7-5-4-6-8-19)10-12-22(20)23(24)13-15-26(25,27)2/h1,4-8,17,22-25,29H,9-16,18H2,2H3/b28-21+/t22-,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey | FLOOFVYMWIYALK-VRGOQYRISA-N |
| Literature Reference Author | P.SOHAR,A.BODOR,R.SCHWARTZ |
| Literature Reference Citation | STEROIDS,64,246(1999) |
| Literature Reference DOI | 10.1016/s0039-128x(98)00111-1 |
| Molecular Weight | 403.565 g/mol |
| Sample ID | 968660 |
| Solvent | CDCl3 |