| SpectraBase Compound ID | GEokI2UXsny |
|---|---|
| InChI | InChI=1S/C53H88O23/c1-22(55)39-41(59)48(62)53(64)51(39,7)14-12-34-50(6)13-11-28(16-27(50)10-15-52(34,53)63)71-37-19-31(65-8)46(25(4)69-37)75-36-18-30(57)44(23(2)68-36)73-35-17-29(56)45(24(3)67-35)74-38-20-32(66-9)47(26(5)70-38)76-49-43(61)42(60)40(58)33(21-54)72-49/h23-49,54,56-64H,10-21H2,1-9H3/t23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43+,44-,45-,46+,47-,48+,49-,50-,51+,52-,53+/m0/s1 |
| InChIKey | BYLJLGXQNZWOFW-LTEYYLSLSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C53H88O23 |
| Exact Mass | 1092.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tkBd8Ti3dV |
|---|---|
| Name | #15;PLEUROGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CYMAR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H88O23 |
| InChI | InChI=1S/C53H88O23/c1-22(55)39-41(59)48(62)53(64)51(39,7)14-12-34-50(6)13-11-28(16-27(50)10-15-52(34,53)63)71-37-19-31(65-8)46(25(4)69-37)75-36-18-30(57)44(23(2)68-36)73-35-17-29(56)45(24(3)67-35)74-38-20-32(66-9)47(26(5)70-38)76-49-43(61)42(60)40(58)33(21-54)72-49/h23-49,54,56-64H,10-21H2,1-9H3/t23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43+,44-,45-,46+,47-,48+,49-,50-,51+,52-,53+/m0/s1 |
| InChIKey | BYLJLGXQNZWOFW-LTEYYLSLSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 1093.268 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4365 |