| SpectraBase Compound ID | HbciXMQbKVd |
|---|---|
| InChI | InChI=1S/C56H92O20/c1-27-48(59)37(62-9)22-44(67-27)73-50-29(3)69-46(24-39(50)64-11)75-52-31(5)71-47(26-41(52)66-13)76-51-30(4)70-45(25-40(51)65-12)74-49-28(2)68-43(23-38(49)63-10)72-34-16-17-53(7)33(20-34)14-15-35-36(53)21-42(58)54(8)55(60,32(6)57)18-19-56(35,54)61/h14,27-31,34-52,58-61H,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 | QXCWUISUSYJHTC-JYZHETSFSA-N |
| Mol Weight | 1085.3 g/mol |
| Molecular Formula | C56H92O20 |
| Exact Mass | 1084.618195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mzs9eVJu71 |
|---|---|
| Name | #10;PERGULARIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O20 |
| InChI | InChI=1S/C56H92O20/c1-27-48(59)37(62-9)22-44(67-27)73-50-29(3)69-46(24-39(50)64-11)75-52-31(5)71-47(26-41(52)66-13)76-51-30(4)70-45(25-40(51)65-12)74-49-28(2)68-43(23-38(49)63-10)72-34-16-17-53(7)33(20-34)14-15-35-36(53)21-42(58)54(8)55(60,32(6)57)18-19-56(35,54)61/h14,27-31,34-52,58-61H,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 | QXCWUISUSYJHTC-JYZHETSFSA-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 | 1085.334 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20834 |