| SpectraBase Compound ID | FucV0FlNlBy |
|---|---|
| InChI | InChI=1S/C50H79NO16/c1-15-18-37-30(7)41(64-42-24-39(62-34(11)52)47(33(10)61-42)66-49(51)57)25-50(58,67-37)32(9)44(55)31(8)46-38(59-13)20-17-19-26(3)21-29(6)45(63-35(12)53)36(16-2)43(54)28(5)22-27(4)23-40(60-14)48(56)65-46/h15,17-20,22-23,28-33,36-39,41-47,54-55,58H,16,21,24-25H2,1-14H3,(H2,51,57)/b18-15+,20-17-,26-19-,27-22-,40-23+/t28-,29-,30+,31+,32+,33-,36-,37+,38+,39-,41+,42+,43-,44-,45-,46-,47-,50+/m1/s1 |
| InChIKey | CXPXTPFXLYTHRY-VABTUJLUSA-N |
| Mol Weight | 950.2 g/mol |
| Molecular Formula | C50H79NO16 |
| Exact Mass | 949.539885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XTjVahHekx |
|---|---|
| Name | 9,3'-DI-O-ACETYLCONCANAMYCIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H79NO16 |
| InChI | InChI=1S/C50H79NO16/c1-15-18-37-30(7)41(64-42-24-39(62-34(11)52)47(33(10)61-42)66-49(51)57)25-50(58,67-37)32(9)44(55)31(8)46-38(59-13)20-17-19-26(3)21-29(6)45(63-35(12)53)36(16-2)43(54)28(5)22-27(4)23-40(60-14)48(56)65-46/h15,17-20,22-23,28-33,36-39,41-47,54-55,58H,16,21,24-25H2,1-14H3,(H2,51,57)/b18-15+,20-17-,26-19-,27-22-,40-23+/t28-,29-,30+,31+,32+,33-,36-,37+,38+,39-,41+,42+,43-,44-,45-,46-,47-,50+/m1/s1 |
| InChIKey | CXPXTPFXLYTHRY-VABTUJLUSA-N |
| Literature Reference Author | K.U.BINDSEIL,A.ZEECK |
| Literature Reference Citation | J.ORG.CHEM.,58,5487(1993) |
| Literature Reference DOI | 10.1021/jo00072a036 |
| Molecular Weight | 950.174 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19911 |