![[23(23')E,25R]-23(23')-BENZYLIDEN-SPIROST-5-EN-3-BETA-OL-ACETATE](/api/spectrum/JQq5jwUggXd/structure.png?h=300&w=458 "[23(23')E,25R]-23(23')-BENZYLIDEN-SPIROST-5-EN-3-BETA-OL-ACETATE")
| SpectraBase Compound ID | 6eJ93CYIhMo |
|---|---|
| InChI | InChI=1S/C36H48O4/c1-22-17-27(18-25-9-7-6-8-10-25)36(38-21-22)23(2)33-32(40-36)20-31-29-12-11-26-19-28(39-24(3)37)13-15-34(26,4)30(29)14-16-35(31,33)5/h6-11,18,22-23,28-33H,12-17,19-21H2,1-5H3/b27-18+/t22-,23+,28+,29-,30+,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | JTIWLQQODYYAIB-UUHSPEQLSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C36H48O4 |
| Exact Mass | 544.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQq5jwUggXd |
|---|---|
| Name | [23(23')E,25R]-23(23')-BENZYLIDEN-SPIROST-5-EN-3-BETA-OL-ACETATE |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O4 |
| InChI | InChI=1S/C36H48O4/c1-22-17-27(18-25-9-7-6-8-10-25)36(38-21-22)23(2)33-32(40-36)20-31-29-12-11-26-19-28(39-24(3)37)13-15-34(26,4)30(29)14-16-35(31,33)5/h6-11,18,22-23,28-33H,12-17,19-21H2,1-5H3/b27-18+/t22-,23+,28+,29-,30+,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | JTIWLQQODYYAIB-UUHSPEQLSA-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 | 544.775 g/mol |
| Sample ID | 968856 |
| Solvent | CDCl3 |