| SpectraBase Compound ID | 25YgKC809cr |
|---|---|
| InChI | InChI=1S/C49H80O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-39,41-43,50-59H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,28+,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1 |
| InChIKey | ZEIAROWTCSYWFT-ZAFSLUQZSA-N |
| Mol Weight | 957.2 g/mol |
| Molecular Formula | C49H80O18 |
| Exact Mass | 956.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uKxHpLYbf9 |
|---|---|
| Name | SOYASAPONIN-I-METHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O18 |
| InChI | InChI=1S/C49H80O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-39,41-43,50-59H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,28+,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1 |
| InChIKey | ZEIAROWTCSYWFT-ZAFSLUQZSA-N |
| Literature Reference Author | S.SAKAMOTO,M.KUROYANAGI,A.UENO,S.SEKITA |
| Literature Reference Citation | PHYTOCHEM.,31,1339(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80286-N |
| Molecular Weight | 957.163 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN5185 |