![(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-[2-(TERT.-BUTOXYCARBONYLAMINO)-ETHYLAMINO]-4-OXO-BUTANOATE](/api/spectrum/F1CZ9AyzeMx/structure.png?h=300&w=458 "(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-[2-(TERT.-BUTOXYCARBONYLAMINO)-ETHYLAMINO]-4-OXO-BUTANOATE")
| SpectraBase Compound ID | A5QexeHVOKg |
|---|---|
| InChI | InChI=1S/C40H66N2O5/c1-10-28(26(2)3)12-11-27(4)32-15-16-33-31-14-13-29-25-30(19-21-39(29,8)34(31)20-22-40(32,33)9)46-36(44)18-17-35(43)41-23-24-42-37(45)47-38(5,6)7/h11-13,26-28,30-34H,10,14-25H2,1-9H3,(H,41,43)(H,42,45)/b12-11+/t27-,28-,30+,31+,32-,33+,34+,39+,40-/m1/s1 |
| InChIKey | WHINHWLCRWOCHX-JWXBPFDFSA-N |
| Mol Weight | 655.0 g/mol |
| Molecular Formula | C40H66N2O5 |
| Exact Mass | 654.497173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1CZ9AyzeMx |
|---|---|
| Name | (3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-[2-(TERT.-BUTOXYCARBONYLAMINO)-ETHYLAMINO]-4-OXO-BUTANOATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66N2O5 |
| InChI | InChI=1S/C40H66N2O5/c1-10-28(26(2)3)12-11-27(4)32-15-16-33-31-14-13-29-25-30(19-21-39(29,8)34(31)20-22-40(32,33)9)46-36(44)18-17-35(43)41-23-24-42-37(45)47-38(5,6)7/h11-13,26-28,30-34H,10,14-25H2,1-9H3,(H,41,43)(H,42,45)/b12-11+/t27-,28-,30+,31+,32-,33+,34+,39+,40-/m1/s1 |
| InChIKey | WHINHWLCRWOCHX-JWXBPFDFSA-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 | 654.974 g/mol |
| Sample ID | 70722 |
| Solvent | CD3OD |