| SpectraBase Compound ID | BwU9Vl2TTuG |
|---|---|
| InChI | InChI=1S/C36H51Br4N3O8/c1-23(2)14-11-9-7-5-4-6-8-10-12-15-30(45)42-21-29(44)24-18-25(37)33(26(38)19-24)49-17-13-16-41-35(47)31-34(46)36(51-43-31)20-27(39)32(48-3)28(40)22-50-36/h18-19,22-23,29,34,44,46H,4-17,20-21H2,1-3H3,(H,41,47)(H,42,45)/t29?,34-,36-/m1/s1 |
| InChIKey | IDHVIYPTDKAKBA-WZRZUINYSA-N |
| Mol Weight | 973.4 g/mol |
| Molecular Formula | C36H51Br4N3O8 |
| Exact Mass | 969.040968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdaZxqI4S3k |
|---|---|
| Name | PSAMMAPLYSIN-D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H51Br4N3O8 |
| InChI | InChI=1S/C36H51Br4N3O8/c1-23(2)14-11-9-7-5-4-6-8-10-12-15-30(45)42-21-29(44)24-18-25(37)33(26(38)19-24)49-17-13-16-41-35(47)31-34(46)36(51-43-31)20-27(39)32(48-3)28(40)22-50-36/h18-19,22-23,29,34,44,46H,4-17,20-21H2,1-3H3,(H,41,47)(H,42,45)/t29?,34-,36-/m1/s1 |
| InChIKey | IDHVIYPTDKAKBA-WZRZUINYSA-N |
| Literature Reference Author | T.ICHIBA,P.J.SCHEUER,M.KELLY-BORGES |
| Literature Reference Citation | J.ORG.CHEM.,58,4149(1993) |
| Literature Reference DOI | 10.1021/jo00067a062 |
| Molecular Weight | 973.432 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWGE2058 |