| SpectraBase Compound ID | KigfKxRpOZv |
|---|---|
| InChI | InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3/t23?,24-,25+,26-,27?,28?,29-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41-,42?,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | ZKTQSWBSOLFYDL-JFVMGQAMSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C48H80O18 |
| Exact Mass | 944.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fwy7B26kZyd |
|---|---|
| Name | PHASEOLUSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O18 |
| InChI | InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3/t23?,24-,25+,26-,27?,28?,29-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41-,42?,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | ZKTQSWBSOLFYDL-JFVMGQAMSA-N |
| Literature Reference Author | D.C.JAIN,P.K.AGRAWAL,R.S.THAKUR |
| Literature Reference Citation | PLANTA.MED.,57,94(1991) |
| Literature Reference DOI | 10.1055/s-2006-960036 |
| Molecular Weight | 945.152 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP81 |