![[23(23')E,25R]-23(23')-BENZYLIDEN-3-BETA-ACETOXY-5-ALPHA-SPIROSTAN-12-ONE](/api/spectrum/Cguu8tdvvig/structure.png?h=300&w=458 "[23(23')E,25R]-23(23')-BENZYLIDEN-3-BETA-ACETOXY-5-ALPHA-SPIROSTAN-12-ONE")
| SpectraBase Compound ID | D8e92lP2aaP |
|---|---|
| InChI | InChI=1S/C36H48O5/c1-21-15-26(16-24-9-7-6-8-10-24)36(39-20-21)22(2)33-31(41-36)18-30-28-12-11-25-17-27(40-23(3)37)13-14-34(25,4)29(28)19-32(38)35(30,33)5/h6-10,16,21-22,25,27-31,33H,11-15,17-20H2,1-5H3/b26-16+/t21-,22+,25+,27+,28-,29+,30+,31+,33+,34+,35-,36+/m1/s1 |
| InChIKey | FYAPPZCGXQGBHW-PRGDDENSSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C36H48O5 |
| Exact Mass | 560.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cguu8tdvvig |
|---|---|
| Name | [23(23')E,25R]-23(23')-BENZYLIDEN-3-BETA-ACETOXY-5-ALPHA-SPIROSTAN-12-ONE |
| Compound Number | 2D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O5 |
| InChI | InChI=1S/C36H48O5/c1-21-15-26(16-24-9-7-6-8-10-24)36(39-20-21)22(2)33-31(41-36)18-30-28-12-11-25-17-27(40-23(3)37)13-14-34(25,4)29(28)19-32(38)35(30,33)5/h6-10,16,21-22,25,27-31,33H,11-15,17-20H2,1-5H3/b26-16+/t21-,22+,25+,27+,28-,29+,30+,31+,33+,34+,35-,36+/m1/s1 |
| InChIKey | FYAPPZCGXQGBHW-PRGDDENSSA-N |
| Literature Reference Author | K.M.RUIZ-PEREZ,M.ROMERO-AVILA,V.TINAJERO-DELGADO,M.FLORES-AL AMO,M.A.IGLESIAS-ART |
| Literature Reference Citation | STEROIDS,77,819(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.02.016 |
| Molecular Weight | 560.774 g/mol |
| Sample ID | 968857 |
| Solvent | CDCl3 |