![3-{1'-[(t-Butoxycarbonyl)amino]-2'-({2"-[(t-butoxycarbonyl)(methyl)amino]-1"-phenylpropyl}oxy-3'-methylbutyl}bicyclo[2.2.1]heptan-2-ol](/api/spectrum/5jpN7jjAkZa/structure.png?h=300&w=458 "3-{1'-[(t-Butoxycarbonyl)amino]-2'-({2\"-[(t-butoxycarbonyl)(methyl)amino]-1\"-phenylpropyl}oxy-3'-methylbutyl}bicyclo[2.2.1]heptan-2-ol")
| SpectraBase Compound ID | Jkz7u7SZrfM |
|---|---|
| InChI | InChI=1S/C32H52N2O6/c1-19(2)27(25(33-29(36)39-31(4,5)6)24-22-16-17-23(18-22)26(24)35)38-28(21-14-12-11-13-15-21)20(3)34(10)30(37)40-32(7,8)9/h11-15,19-20,22-28,35H,16-18H2,1-10H3,(H,33,36)/t20?,22-,23+,24-,25?,26+,27?,28?/m0/s1 |
| InChIKey | XNNNGNYMCZSJFJ-OGBUNNPGSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C32H52N2O6 |
| Exact Mass | 560.382537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5jpN7jjAkZa |
|---|---|
| Name | 3-{1'-[(t-Butoxycarbonyl)amino]-2'-({2"-[(t-butoxycarbonyl)(methyl)amino]-1"-phenylpropyl}oxy-3'-methylbutyl}bicyclo[2.2.1]heptan-2-ol |
| Alternate Name(s) | 3-{1'-[(t-Butoxycarbonyl)amino]-2'-({2''-[(t-butoxycarbonyl)(methyl)amino]-1''-phenylpropyl}oxy-3'-methylbutyl}bicyclo[2.2.1]heptan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52N2O6 |
| InChI | InChI=1S/C32H52N2O6/c1-19(2)27(25(33-29(36)39-31(4,5)6)24-22-16-17-23(18-22)26(24)35)38-28(21-14-12-11-13-15-21)20(3)34(10)30(37)40-32(7,8)9/h11-15,19-20,22-28,35H,16-18H2,1-10H3,(H,33,36)/t20?,22-,23+,24-,25?,26+,27?,28?/m0/s1 |
| InChIKey | XNNNGNYMCZSJFJ-OGBUNNPGSA-N |
| Molecular Weight | 560.776 g/mol |
| SMILES | O[C@@]1([C@]2(C[C@@]([C@]1(C(C(OC(C(N(C(OC(C)(C)C)=O)C)C)c1ccccc1)C(C)C)NC(OC(C)(C)C)=O)[H])(CC2)[H])[H])[H] |
| SPLASH | splash10-0006-0920000000-ff98a61e5e685def5612 |
| Source of Spectrum | U1-1998-1801-11 |
| Wiley ID | 751754 |