| SpectraBase Compound ID | 2yi0pe4awa3 |
|---|---|
| InChI | InChI=1S/C42H70O13/c1-37(2)16-22-21-8-9-26-39(4)12-11-27(46)40(5,20-45)25(39)10-13-42(26,7)41(21,6)15-14-38(22,3)28(17-37)54-36-34(32(50)30(48)24(19-44)53-36)55-35-33(51)31(49)29(47)23(18-43)52-35/h8,22-36,43-51H,9-20H2,1-7H3/t22?,23-,24-,25?,26?,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | XSPMRQHSFYVOGF-GKDHIATRSA-N |
| Mol Weight | 783.0 g/mol |
| Molecular Formula | C42H70O13 |
| Exact Mass | 782.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uMnCEaNkFo |
|---|---|
| Name | 22-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-SOYASAPOGENOL-B |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O13 |
| InChI | InChI=1S/C42H70O13/c1-37(2)16-22-21-8-9-26-39(4)12-11-27(46)40(5,20-45)25(39)10-13-42(26,7)41(21,6)15-14-38(22,3)28(17-37)54-36-34(32(50)30(48)24(19-44)53-36)55-35-33(51)31(49)29(47)23(18-43)52-35/h8,22-36,43-51H,9-20H2,1-7H3/t22?,23-,24-,25?,26?,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | XSPMRQHSFYVOGF-GKDHIATRSA-N |
| Literature Reference Author | K.M.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,40,1237(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00430-F |
| Molecular Weight | 783.010 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2830 |