| SpectraBase Compound ID | 4B57DyVVysw |
|---|---|
| InChI | InChI=1S/C45H74O16/c1-21(10-11-29(51)41(6,7)55)31-24(49)17-43(9)28-16-26(59-38-34(54)33(53)32(52)27(18-46)60-38)37-40(4,5)30(12-13-45(37)20-44(28,45)15-14-42(31,43)8)61-39-36(58-23(3)48)35(57-22(2)47)25(50)19-56-39/h21,24-39,46,49-55H,10-20H2,1-9H3/t21-,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,39+,42-,43+,44+,45-/m1/s1 |
| InChIKey | ZQWCDHXEDOSWFH-RAOPUSAVSA-N |
| Mol Weight | 871.1 g/mol |
| Molecular Formula | C45H74O16 |
| Exact Mass | 870.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrzFUH3JrVP |
|---|---|
| Name | #5;AGROASTRAGALOSIDE-I;3-O-BETA-(2',3'-DI-O-ACETYL)-D-XYLOPYRANOSYL-6-O-BETA-D-GLUCOPYRANOSYL-(24S)-3-BETA,6-ALPHA,16-BETA,24,25-PENTAHYDROXY-9,19-CYCLOLANOSTA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O16 |
| InChI | InChI=1S/C45H74O16/c1-21(10-11-29(51)41(6,7)55)31-24(49)17-43(9)28-16-26(59-38-34(54)33(53)32(52)27(18-46)60-38)37-40(4,5)30(12-13-45(37)20-44(28,45)15-14-42(31,43)8)61-39-36(58-23(3)48)35(57-22(2)47)25(50)19-56-39/h21,24-39,46,49-55H,10-20H2,1-9H3/t21-,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,39+,42-,43+,44+,45-/m1/s1 |
| InChIKey | ZQWCDHXEDOSWFH-RAOPUSAVSA-N |
| Literature Reference Author | M.HIROTANI,Y.ZHOU,H.LUI,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,36,665(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89793-9 |
| Molecular Weight | 871.073 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS25666 |