| SpectraBase Compound ID | 5roQbT05Slc |
|---|---|
| InChI | InChI=1S/C39H50O18/c1-47-22-7-17(8-23(48-2)31(22)43)30(42)28(13-40)55-37-24(49-3)9-18(10-25(37)50-4)35-20-15-54-36(21(20)16-53-35)19-11-26(51-5)38(27(12-19)52-6)57-39-34(46)33(45)32(44)29(14-41)56-39/h7-12,20-21,28-30,32-36,39-46H,13-16H2,1-6H3/t20-,21-,28?,29+,30?,32+,33-,34+,35+,36+,39-/m0/s1 |
| InChIKey | DQGLNXCXLBTINW-XWVFPIBSSA-N |
| Mol Weight | 806.8 g/mol |
| Molecular Formula | C39H50O18 |
| Exact Mass | 806.299715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATeL5dmjJQR |
|---|---|
| Name | ALBIZZIOSIDE-C;BUDDLENOL-D-4-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O18 |
| InChI | InChI=1S/C39H50O18/c1-47-22-7-17(8-23(48-2)31(22)43)30(42)28(13-40)55-37-24(49-3)9-18(10-25(37)50-4)35-20-15-54-36(21(20)16-53-35)19-11-26(51-5)38(27(12-19)52-6)57-39-34(46)33(45)32(44)29(14-41)56-39/h7-12,20-21,28-30,32-36,39-46H,13-16H2,1-6H3/t20-,21-,28?,29+,30?,32+,33-,34+,35+,36+,39-/m0/s1 |
| InChIKey | DQGLNXCXLBTINW-XWVFPIBSSA-N |
| Literature Reference Author | A.ITO,R.KASAI,K.YAMASAKI,N.M.DUC,N.T.NHAM |
| Literature Reference Citation | PHYTOCHEM.,37,1455(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90432-1 |
| Molecular Weight | 806.815 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS5716 |