| SpectraBase Compound ID | LayNifoDEoT |
|---|---|
| InChI | InChI=1S/C35H58N2O3/c1-7-25(23(2)3)9-8-24(4)29-12-13-30-28-11-10-26-22-27(40-33(39)15-14-32(38)37-21-20-36)16-18-34(26,5)31(28)17-19-35(29,30)6/h8-10,23-25,27-31H,7,11-22,36H2,1-6H3,(H,37,38)/b9-8+/t24-,25-,27+,28+,29-,30+,31+,34+,35-/m1/s1 |
| InChIKey | GQMGEHKGCGTKBV-GFWAPOSYSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C35H58N2O3 |
| Exact Mass | 554.444744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZJypEOe2Mq |
|---|---|
| Name | (3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-(2-AMINOETHYLAMINO)-4-OXO-BUTANOATE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58N2O3 |
| InChI | InChI=1S/C35H58N2O3/c1-7-25(23(2)3)9-8-24(4)29-12-13-30-28-11-10-26-22-27(40-33(39)15-14-32(38)37-21-20-36)16-18-34(26,5)31(28)17-19-35(29,30)6/h8-10,23-25,27-31H,7,11-22,36H2,1-6H3,(H,37,38)/b9-8+/t24-,25-,27+,28+,29-,30+,31+,34+,35-/m1/s1 |
| InChIKey | GQMGEHKGCGTKBV-GFWAPOSYSA-N |
| Literature Reference Author | N.VIDA,H.SVOBODOVA,L.RAROVA,P.DRASAR,D.SAMAN,J.CVACKA,Z.WIMM ER |
| Literature Reference Citation | STEROIDS,77,1212(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.07.009 |
| Molecular Weight | 554.857 g/mol |
| Sample ID | 70723 |
| Solvent | CD3OD |