| SpectraBase Compound ID | 1tHqlthiVcG |
|---|---|
| InChI | InChI=1S/C56H92O21/c1-27-47(59)35(63-9)21-43(68-27)74-49-29(3)70-45(23-37(49)65-11)76-51-31(5)72-46(25-39(51)67-13)77-50-30(4)71-44(24-38(50)66-12)75-48-28(2)69-42(22-36(48)64-10)73-34-15-16-52(7)33(20-34)14-17-55(61)40(52)26-41(58)53(8)54(60,32(6)57)18-19-56(53,55)62/h14,27-31,34-51,58-62H,15-26H2,1-13H3/t27-,28+,29-,30-,31-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51-,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | KHFBHOZDUJQXIH-JDPTVQJISA-N |
| Mol Weight | 1101.3 g/mol |
| Molecular Formula | C56H92O21 |
| Exact Mass | 1100.61311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzV9V3aosHi |
|---|---|
| Name | #11;DEACYLMETAPLEXIGENIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O21 |
| InChI | InChI=1S/C56H92O21/c1-27-47(59)35(63-9)21-43(68-27)74-49-29(3)70-45(23-37(49)65-11)76-51-31(5)72-46(25-39(51)67-13)77-50-30(4)71-44(24-38(50)66-12)75-48-28(2)69-42(22-36(48)64-10)73-34-15-16-52(7)33(20-34)14-17-55(61)40(52)26-41(58)53(8)54(60,32(6)57)18-19-56(53,55)62/h14,27-31,34-51,58-62H,15-26H2,1-13H3/t27-,28+,29-,30-,31-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51-,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | KHFBHOZDUJQXIH-JDPTVQJISA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 1101.334 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20835 |