| SpectraBase Compound ID | 6pGwnN2Ta0I |
|---|---|
| InChI | InChI=1S/C58H94O21/c1-28-50(61)39(64-10)23-46(69-28)76-52-30(3)71-48(25-41(52)66-12)78-54-32(5)73-49(27-43(54)68-14)79-53-31(4)72-47(26-42(53)67-13)77-51-29(2)70-45(24-40(51)65-11)75-36-17-18-55(8)35(21-36)15-16-37-38(55)22-44(74-34(7)60)56(9)57(62,33(6)59)19-20-58(37,56)63/h15,28-32,36-54,61-63H,16-27H2,1-14H3/t28-,29+,30-,31-,32-,36-,37+,38-,39+,40-,41+,42+,43+,44+,45-,46-,47+,48+,49-,50-,51+,52-,53-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | OUOKPPSSAKDBQQ-VENNYQABSA-N |
| Mol Weight | 1127.4 g/mol |
| Molecular Formula | C58H94O21 |
| Exact Mass | 1126.62876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0wgTbQyUWQ |
|---|---|
| Name | #8;12-O-ACETYL-PERGULARIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O21 |
| InChI | InChI=1S/C58H94O21/c1-28-50(61)39(64-10)23-46(69-28)76-52-30(3)71-48(25-41(52)66-12)78-54-32(5)73-49(27-43(54)68-14)79-53-31(4)72-47(26-42(53)67-13)77-51-29(2)70-45(24-40(51)65-11)75-36-17-18-55(8)35(21-36)15-16-37-38(55)22-44(74-34(7)60)56(9)57(62,33(6)59)19-20-58(37,56)63/h15,28-32,36-54,61-63H,16-27H2,1-14H3/t28-,29+,30-,31-,32-,36-,37+,38-,39+,40-,41+,42+,43+,44+,45-,46-,47+,48+,49-,50-,51+,52-,53-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | OUOKPPSSAKDBQQ-VENNYQABSA-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 | 1127.372 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20832 |