| SpectraBase Compound ID | 3VGf4i06LG2 |
|---|---|
| InChI | InChI=1S/C51H82O18/c1-25-44(54)35(57-9)21-41(61-25)67-46-27(3)63-43(23-37(46)59-11)69-47-28(4)64-42(24-38(47)60-12)68-45-26(2)62-40(22-36(45)58-10)66-32-15-16-48(7)31(19-32)13-14-33-34(48)20-39(65-30(6)53)49(8)50(55,29(5)52)17-18-51(33,49)56/h13,25-28,32-47,54-56H,14-24H2,1-12H3/t25-,26-,27-,28-,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49-,50-,51+/m1/s1 |
| InChIKey | CRVFAQPOAZPTJB-SDTHJTHBSA-N |
| Mol Weight | 983.2 g/mol |
| Molecular Formula | C51H82O18 |
| Exact Mass | 982.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5ccCTG4koN |
|---|---|
| Name | #3;12-O-ACETYL-PERGULARIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O18 |
| InChI | InChI=1S/C51H82O18/c1-25-44(54)35(57-9)21-41(61-25)67-46-27(3)63-43(23-37(46)59-11)69-47-28(4)64-42(24-38(47)60-12)68-45-26(2)62-40(22-36(45)58-10)66-32-15-16-48(7)31(19-32)13-14-33-34(48)20-39(65-30(6)53)49(8)50(55,29(5)52)17-18-51(33,49)56/h13,25-28,32-47,54-56H,14-24H2,1-12H3/t25-,26-,27-,28-,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49-,50-,51+/m1/s1 |
| InChIKey | CRVFAQPOAZPTJB-SDTHJTHBSA-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 | 983.201 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20827 |