| SpectraBase Compound ID | C8IID0Uumdd |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-19(2)21-9-12-48(14-13-45(6)22(29(21)48)15-23(50)39-46(45,7)11-10-26-44(4,5)68-27(16-28(51)52)47(26,39)8)43(61)67-42-36(59)33(56)31(54)25(65-42)18-62-40-37(60)34(57)38(24(17-49)64-40)66-41-35(58)32(55)30(53)20(3)63-41/h20-27,29-42,49-50,53-60H,1,9-18H2,2-8H3,(H,51,52)/t20-,21+,22?,23-,24-,25-,26?,27-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39?,40-,41-,42+,45-,46-,47-,48+/m1/s1 |
| InChIKey | DEXFQQWSJHKUIA-CCEGQDDOSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qcuogKbNZV |
|---|---|
| Name | ISOCHIISANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-19(2)21-9-12-48(14-13-45(6)22(29(21)48)15-23(50)39-46(45,7)11-10-26-44(4,5)68-27(16-28(51)52)47(26,39)8)43(61)67-42-36(59)33(56)31(54)25(65-42)18-62-40-37(60)34(57)38(24(17-49)64-40)66-41-35(58)32(55)30(53)20(3)63-41/h20-27,29-42,49-50,53-60H,1,9-18H2,2-8H3,(H,51,52)/t20-,21+,22?,23-,24-,25-,26?,27-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39?,40-,41-,42+,45-,46-,47-,48+/m1/s1 |
| InChIKey | DEXFQQWSJHKUIA-CCEGQDDOSA-N |
| Literature Reference Author | K.SHIRASUNA,M.MIYAKOSHI,S.MIMOTO,S.ISODA,Y.SATOH,Y.HIRAI,Y.I DA,J.SHOJI |
| Literature Reference Citation | PHYTOCHEM.,45,579(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00017-4 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1466 |