| SpectraBase Compound ID | 6beIkPohGzm |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19-,20-,21-,22+,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | TUJVKSOFWMFECQ-RVUKFGIKSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C29H44O5 |
| Exact Mass | 472.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8SnPNReCBZ |
|---|---|
| Name | (25R)-3-ALPHA-ACETOXY-5-BETA-SPIROSTAN-23-OXO-3-EPISMILAGENIN-ACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19-,20-,21-,22+,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | TUJVKSOFWMFECQ-RVUKFGIKSA-N |
| Literature Reference Author | Y.LOPEZ,K.M.RUIZ-PEREZ,R.YEPEZ,R.SANTILLAN,M.FLORES-ALAMO,M. A.IGLESIAS-ARTEAGA |
| Literature Reference Citation | STEROIDS,73,657(2008) |
| Literature Reference DOI | 10.1016/j.steroids.2008.02.003 |
| Molecular Weight | 472.665 g/mol |
| Sample ID | 968825 |
| Solvent | CDCl3 |