| SpectraBase Compound ID | I2yUDqvrZHY |
|---|---|
| InChI | InChI=1S/C49H83NO18/c1-16-38-35(25-61-48-47(58-15)46(57-14)44(30(8)62-48)65-32(10)52)21-26(4)19-20-36(54)27(5)22-34(23-40(59-17-2)60-18-3)42(28(6)37(55)24-39(56)67-38)68-49-45(66-33(11)53)41(50(12)13)43(29(7)63-49)64-31(9)51/h19-21,27-30,34-38,40-49,54-55H,16-18,22-25H2,1-15H3/b20-19+,26-21+/t27-,28+,29-,30+,34-,35-,36?,37-,38-,41+,42-,43-,44+,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | YWQZIAOLEILQRK-MGNUBJPPSA-N |
| Mol Weight | 974.2 g/mol |
| Molecular Formula | C49H83NO18 |
| Exact Mass | 973.561015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDC9WdUy2Yq |
|---|---|
| Name | 9-HYDRO-2',4',4''-TRI-O-ACETYLDESMYCOSIN-20-DIETHYLACETAL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H83NO18 |
| InChI | InChI=1S/C49H83NO18/c1-16-38-35(25-61-48-47(58-15)46(57-14)44(30(8)62-48)65-32(10)52)21-26(4)19-20-36(54)27(5)22-34(23-40(59-17-2)60-18-3)42(28(6)37(55)24-39(56)67-38)68-49-45(66-33(11)53)41(50(12)13)43(29(7)63-49)64-31(9)51/h19-21,27-30,34-38,40-49,54-55H,16-18,22-25H2,1-15H3/b20-19+,26-21+/t27-,28+,29-,30+,34-,35-,36?,37-,38-,41+,42-,43-,44+,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | YWQZIAOLEILQRK-MGNUBJPPSA-N |
| Literature Reference Author | Y.TERUI,K.KINOSHITA,Y.KANEDA,T.AKASHI,T.HAMAGUCHI,A.KAWASHIM A |
| Literature Reference Citation | J.ANTIBIOTICS,59,98(2006) |
| Literature Reference DOI | 10.1038/ja.2006.14 |
| Molecular Weight | 974.194 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB447 |