| SpectraBase Compound ID | H0fQdTYr29s |
|---|---|
| InChI | InChI=1S/C44H68BO14.Na/c1-9-31-19-15-11-13-17-29(46)25-33(48)42(7,8)36-24-22-28(4)44(55-36)38-40(51)53-32(10-2)20-16-12-14-18-30(47)26-34(49)41(5,6)35-23-21-27(3)43(54-35)37(39(50)52-31)56-45(57-38,58-43)59-44;/h11-12,15-16,27-32,35-38,46-47H,9-10,13-14,17-26H2,1-8H3;/q-1;+1/b15-11-,16-12-;/t27-,28-,29-,30-,31+,32+,35+,36+,37+,38+,43+,44+,45?;/m1./s1 |
| InChIKey | QLXKYFKOUUNOBK-XPKPFAHOSA-N |
| Mol Weight | 854.8 g/mol |
| Molecular Formula | C44H68BNaO14 |
| Exact Mass | 854.459981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KgnBlPsBNQ |
|---|---|
| Name | BOROPHYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68BNaO14 |
| InChI | InChI=1S/C44H68BO14.Na/c1-9-31-19-15-11-13-17-29(46)25-33(48)42(7,8)36-24-22-28(4)44(55-36)38-40(51)53-32(10-2)20-16-12-14-18-30(47)26-34(49)41(5,6)35-23-21-27(3)43(54-35)37(39(50)52-31)56-45(57-38,58-43)59-44;/h11-12,15-16,27-32,35-38,46-47H,9-10,13-14,17-26H2,1-8H3;/q-1;+1/b15-11-,16-12-;/t27-,28-,29-,30-,31+,32+,35+,36+,37+,38+,43+,44+,45?;/m1./s1 |
| InChIKey | QLXKYFKOUUNOBK-XPKPFAHOSA-N |
| Literature Reference Author | T.HEMSCHEIDT,M.P.PUGLISI,L.K.LARSEN,G.M.L.PATTERSON,R.E.MOOR E,J.L.RIOS,J.CLARDY |
| Literature Reference Citation | J.ORG.CHEM.,59,3467(1994) |
| Literature Reference DOI | 10.1021/jo00091a042 |
| Molecular Weight | 854.815 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP2782 |