| SpectraBase Compound ID | GFeyjv61vYN |
|---|---|
| InChI | InChI=1S/C45H72O16/c1-21(47)56-26-19-55-38(34(31(26)51)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-24(36(45)39(28,3)4)58-37-33(53)32(52)30(50)25(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38+,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | HVPKALQHGQMJER-PQHFJARZSA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C45H72O16 |
| Exact Mass | 868.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81L18ZOGXdt |
|---|---|
| Name | ISOASTRAGALOSIDE-I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O16 |
| InChI | InChI=1S/C45H72O16/c1-21(47)56-26-19-55-38(34(31(26)51)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-24(36(45)39(28,3)4)58-37-33(53)32(52)30(50)25(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38+,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | HVPKALQHGQMJER-PQHFJARZSA-N |
| Literature Reference Author | M.HIROTANI,Y.ZHOU,H.RUI,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,37,1403(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90420-5 |
| Molecular Weight | 869.057 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23589 |