| SpectraBase Compound ID | GM4NMAfoAHh |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-22(49)30-12-15-48(56)46(30,8)36(62-27(6)50)21-35-45(7)13-11-29(16-28(45)10-14-47(35,48)55)63-37-17-31(51)42(24(3)59-37)64-38-18-32(52)43(25(4)60-38)65-39-19-33(53)44(26(5)61-39)66-40-20-34(57-9)41(54)23(2)58-40/h10,23-26,29-44,51-56H,11-21H2,1-9H3/t23-,24-,25-,26-,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+/m0/s1 |
| InChIKey | WVRUMQGUKAYZDR-LRGBFTJLSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kkIOV5ZI64 |
|---|---|
| Name | 12-O-ACETYLLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRAN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O18 |
| InChI | InChI=1S/C48H76O18/c1-22(49)30-12-15-48(56)46(30,8)36(62-27(6)50)21-35-45(7)13-11-29(16-28(45)10-14-47(35,48)55)63-37-17-31(51)42(24(3)59-37)64-38-18-32(52)43(25(4)60-38)65-39-19-33(53)44(26(5)61-39)66-40-20-34(57-9)41(54)23(2)58-40/h10,23-26,29-44,51-56H,11-21H2,1-9H3/t23-,24-,25-,26-,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+/m0/s1 |
| InChIKey | WVRUMQGUKAYZDR-LRGBFTJLSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 941.121 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2039 |