| SpectraBase Compound ID | LpnTEXs1nvW |
|---|---|
| InChI | InChI=1S/C43H76N4O3/c1-7-33(31(2)3)13-12-32(4)37-16-17-38-36-15-14-34-30-35(20-22-42(34,5)39(36)21-23-43(37,38)6)50-41(49)19-18-40(48)47-29-11-28-46-26-9-8-25-45-27-10-24-44/h12-14,31-33,35-39,45-46H,7-11,15-30,44H2,1-6H3,(H,47,48)/b13-12+/t32-,33-,35+,36+,37-,38+,39+,42+,43-/m1/s1 |
| InChIKey | CCKGMTVYQHZDJY-TYKQGOLHSA-N |
| Mol Weight | 697.1 g/mol |
| Molecular Formula | C43H76N4O3 |
| Exact Mass | 696.591742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 596gTYWj2kE |
|---|---|
| Name | (3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-(12-AMINO-4,9-DIAZADODECYLAMINO)-4-OXO-BUTANOATE |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H76N4O3 |
| InChI | InChI=1S/C43H76N4O3/c1-7-33(31(2)3)13-12-32(4)37-16-17-38-36-15-14-34-30-35(20-22-42(34,5)39(36)21-23-43(37,38)6)50-41(49)19-18-40(48)47-29-11-28-46-26-9-8-25-45-27-10-24-44/h12-14,31-33,35-39,45-46H,7-11,15-30,44H2,1-6H3,(H,47,48)/b13-12+/t32-,33-,35+,36+,37-,38+,39+,42+,43-/m1/s1 |
| InChIKey | CCKGMTVYQHZDJY-TYKQGOLHSA-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 | 697.101 g/mol |
| Sample ID | 70726 |
| Solvent | CD3OD |