| SpectraBase Compound ID | 1Qrw3PApqMT |
|---|---|
| InChI | InChI=1S/C35H41NO5/c1-23(37)40-27-16-18-34(2)26(20-27)21-30(36-39-22-24-10-6-4-7-11-24)32-28-14-15-31(35(28,3)19-17-29(32)34)41-33(38)25-12-8-5-9-13-25/h4-13,21,27-29,31-32H,14-20,22H2,1-3H3/b36-30+/t27-,28-,29-,31-,32-,34-,35-/m0/s1 |
| InChIKey | AJQTZLWJNIBYMG-FEYNCLHRSA-N |
| Mol Weight | 555.7 g/mol |
| Molecular Formula | C35H41NO5 |
| Exact Mass | 555.298473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WaUgbiY6bE |
|---|---|
| Name | (SYN)-3-BETA-ACETOXY-17-BETA-BENZOYLOXY-5-ANDROSTEN-7-O-BENZYLOXIME |
| Compound Number | 17S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H41NO5 |
| InChI | InChI=1S/C35H41NO5/c1-23(37)40-27-16-18-34(2)26(20-27)21-30(36-39-22-24-10-6-4-7-11-24)32-28-14-15-31(35(28,3)19-17-29(32)34)41-33(38)25-12-8-5-9-13-25/h4-13,21,27-29,31-32H,14-20,22H2,1-3H3/b36-30+/t27-,28-,29-,31-,32-,34-,35-/m0/s1 |
| InChIKey | AJQTZLWJNIBYMG-FEYNCLHRSA-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 | 555.714 g/mol |
| Sample ID | 968667 |
| Solvent | CDCl3 |