| SpectraBase Compound ID | FsqrjMsYqsJ |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-21-29(51)32(54)37(65-38-35(57)33(55)36(22(2)62-38)64-39-34(56)31(53)30(52)25(20-49)63-39)40(61-21)66-42(60)48-17-15-43(3,4)19-24(48)23-9-10-26-44(5)13-12-28(50)47(8,41(58)59)27(44)11-14-46(26,7)45(23,6)16-18-48/h9,21-22,24-40,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,22+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | HJTFTRJHKWOWIW-OHZQJCJASA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YrDYrTMatS |
|---|---|
| Name | CELOSIN_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O18 |
| InChI | InChI=1S/C48H76O18/c1-21-29(51)32(54)37(65-38-35(57)33(55)36(22(2)62-38)64-39-34(56)31(53)30(52)25(20-49)63-39)40(61-21)66-42(60)48-17-15-43(3,4)19-24(48)23-9-10-26-44(5)13-12-28(50)47(8,41(58)59)27(44)11-14-46(26,7)45(23,6)16-18-48/h9,21-22,24-40,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,22+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | HJTFTRJHKWOWIW-OHZQJCJASA-N |
| Literature Reference Author | Z.L.SUN,Y.WANG,M.L.GUO,Y.X.LI |
| Literature Reference Citation | FITOTERAPIA,81,375(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2009.11.004 |
| Molecular Weight | 941.121 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMB1181 |