| SpectraBase Compound ID | CtHCOu0o4fb |
|---|---|
| InChI | InChI=1S/C57H92O21/c1-27-49(61)39(64-10)23-45(68-27)76-51-30(4)71-47(25-41(51)66-12)78-53-31(5)72-48(26-42(53)67-13)77-52-29(3)70-46(24-40(52)65-11)75-50-28(2)69-44(22-38(50)60)74-35-16-17-54(8)34(20-35)14-15-36-37(54)21-43(73-33(7)59)55(9)56(62,32(6)58)18-19-57(36,55)63/h14,27-31,35-53,60-63H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37?,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53+,54-,55+,56+,57-/m0/s1 |
| InChIKey | HEHNKWWWZHNMTB-UEWOSEONSA-N |
| Mol Weight | 1113.3 g/mol |
| Molecular Formula | C57H92O21 |
| Exact Mass | 1112.61311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9vPs3LtVpMl |
|---|---|
| Name | 12-O-ACETYLPERGULARIN-3-O-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)- |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O21 |
| InChI | InChI=1S/C57H92O21/c1-27-49(61)39(64-10)23-45(68-27)76-51-30(4)71-47(25-41(51)66-12)78-53-31(5)72-48(26-42(53)67-13)77-52-29(3)70-46(24-40(52)65-11)75-50-28(2)69-44(22-38(50)60)74-35-16-17-54(8)34(20-35)14-15-36-37(54)21-43(73-33(7)59)55(9)56(62,32(6)58)18-19-57(36,55)63/h14,27-31,35-53,60-63H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37?,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53+,54-,55+,56+,57-/m0/s1 |
| InChIKey | HEHNKWWWZHNMTB-UEWOSEONSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 1113.345 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU879 |