| SpectraBase Compound ID | 5qIJkCvNzKL |
|---|---|
| InChI | InChI=1S/C48H70N2O14/c1-26-23-49(24-29-6-9-32(10-7-29)50(56)57)17-14-41(59-26)63-44-27(2)61-43(22-38(44)52)64-45-28(3)60-42(21-37(45)51)62-33-12-15-46(4)31(19-33)8-11-35-36(46)20-39(53)47(5)34(13-16-48(35,47)55)30-18-40(54)58-25-30/h6-7,9-10,18,26-28,31,33-39,41-45,51-53,55H,8,11-17,19-25H2,1-5H3/t26?,27-,28-,31-,33-,34+,35+,36-,37+,38+,39+,41-,42+,43+,44-,45-,46-,47-,48-/m0/s1 |
| InChIKey | WQHVUQDYEZQLOZ-HWNXHBRFSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C48H70N2O14 |
| Exact Mass | 898.482705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CXktrqQ802 |
|---|---|
| Name | DIGOXIN-PERHYDRO-1,4-OXAZEPINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H70N2O14 |
| InChI | InChI=1S/C48H70N2O14/c1-26-23-49(24-29-6-9-32(10-7-29)50(56)57)17-14-41(59-26)63-44-27(2)61-43(22-38(44)52)64-45-28(3)60-42(21-37(45)51)62-33-12-15-46(4)31(19-33)8-11-35-36(46)20-39(53)47(5)34(13-16-48(35,47)55)30-18-40(54)58-25-30/h6-7,9-10,18,26-28,31,33-39,41-45,51-53,55H,8,11-17,19-25H2,1-5H3/t26?,27-,28-,31-,33-,34+,35+,36-,37+,38+,39+,41-,42+,43+,44-,45-,46-,47-,48-/m0/s1 |
| InChIKey | WQHVUQDYEZQLOZ-HWNXHBRFSA-N |
| Literature Reference Author | M.ADAMCZYK,J.GROTE,P.G.MATTINGLY |
| Literature Reference Citation | STEROIDS,60,753(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00115-7 |
| Molecular Weight | 899.089 g/mol |
| Source File Reference | UWLU73909 |