| SpectraBase Compound ID | 1PaMNgPR5vy |
|---|---|
| InChI | InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22+,29-17+,31-23+/t30-,32-,33+,34+,36+,37+,38-,39+,40+,42-,43-,44-,45+,46+,50-/m1/s1 |
| InChIKey | GTJWBKWRZBNEEQ-GUYJNPMVSA-N |
| Mol Weight | 1027.2 g/mol |
| Molecular Formula | C50H83N4O16P |
| Exact Mass | 1026.55417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fNCgKza9zw |
|---|---|
| Name | CALYCULINAMIDE-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H81N4O16P |
| InChI | InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22+,29-17+,31-23+/t30-,32-,33+,34+,36+,37+,38-,39+,40+,42-,43-,44-,45+,46+,50-/m1/s1 |
| InChIKey | GTJWBKWRZBNEEQ-GUYJNPMVSA-N |
| Literature Reference Author | E.J.DUMDEI,J.W.BLUNT,M.H.G.MUNRO,L.K.PANNELL |
| Literature Reference Citation | J.ORG.CHEM.,62,2636(1997) |
| Literature Reference DOI | 10.1021/jo961745j |
| Molecular Weight | 1025.184 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8144 |