| SpectraBase Compound ID | AhRixQkEx9e |
|---|---|
| InChI | InChI=1S/C45H76O20/c1-18(17-59-40-36(55)33(52)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-41-38(57)35(54)39(29(16-48)63-41)64-42-37(56)34(53)32(51)28(15-47)62-42/h18-42,46-58H,5-17H2,1-4H3/t18?,19-,20-,21?,22?,23?,24+,25+,26?,27-,28+,29-,30?,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,42-,43-,44-,45+/m0/s1 |
| InChIKey | NNDVPYHJIYTUGX-IARFBKHPSA-N |
| Mol Weight | 937.1 g/mol |
| Molecular Formula | C45H76O20 |
| Exact Mass | 936.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MNAG9InJuj |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSYL-(25R,S)-5-ALPHA-FUROSTANE-2-ALPHA,3-BETA,22-ALPHA,26-TETROL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O20 |
| InChI | InChI=1S/C45H76O20/c1-18(17-59-40-36(55)33(52)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-41-38(57)35(54)39(29(16-48)63-41)64-42-37(56)34(53)32(51)28(15-47)62-42/h18-42,46-58H,5-17H2,1-4H3/t18?,19-,20-,21?,22?,23?,24+,25+,26?,27-,28+,29-,30?,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,42-,43-,44-,45+/m0/s1 |
| InChIKey | NNDVPYHJIYTUGX-IARFBKHPSA-N |
| Literature Reference Author | Y.WANG,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,45,811(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00043-5 |
| Molecular Weight | 937.086 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1578 |