| SpectraBase Compound ID | 2R0gWbSaSbU |
|---|---|
| InChI | InChI=1S/C66H110O31/c1-26(69)47-49(73)60(78)66(80)64(47,8)16-14-41-63(7)15-13-33(18-32(63)12-17-65(41,66)79)89-44-21-36(81-9)56(29(4)86-44)94-43-20-35(71)54(27(2)85-43)92-42-19-34(70)55(28(3)84-42)93-45-22-37(82-10)57(30(5)87-45)95-46-23-38(83-11)58(31(6)88-46)96-62-53(77)51(75)59(40(25-68)91-62)97-61-52(76)50(74)48(72)39(24-67)90-61/h27-62,67-68,70-80H,12-25H2,1-11H3/t27-,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-,54-,55-,56+,57-,58+,59-,60+,61-,62+,63-,64+,65-,66+/m0/s1 |
| InChIKey | GBWUAWJPVUGQBX-IMPDDBPUSA-N |
| Mol Weight | 1399.6 g/mol |
| Molecular Formula | C66H110O31 |
| Exact Mass | 1398.703107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rkbAuPq0M9 |
|---|---|
| Name | PLEUROGENIN-3-O-BETA-CELLOBIOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CANAROPYR |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H110O31 |
| InChI | InChI=1S/C66H110O31/c1-26(69)47-49(73)60(78)66(80)64(47,8)16-14-41-63(7)15-13-33(18-32(63)12-17-65(41,66)79)89-44-21-36(81-9)56(29(4)86-44)94-43-20-35(71)54(27(2)85-43)92-42-19-34(70)55(28(3)84-42)93-45-22-37(82-10)57(30(5)87-45)95-46-23-38(83-11)58(31(6)88-46)96-62-53(77)51(75)59(40(25-68)91-62)97-61-52(76)50(74)48(72)39(24-67)90-61/h27-62,67-68,70-80H,12-25H2,1-11H3/t27-,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-,54-,55-,56+,57-,58+,59-,60+,61-,62+,63-,64+,65-,66+/m0/s1 |
| InChIKey | GBWUAWJPVUGQBX-IMPDDBPUSA-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 | 1399.581 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4366 |