| SpectraBase Compound ID | 95O39Uz7fXT |
|---|---|
| InChI | InChI=1S/C64H104O24/c1-30-55(68)43(71-11)25-51(76-30)84-56-31(2)77-49(24-42(56)67)85-57-33(4)79-52(27-45(57)73-13)87-59-35(6)81-54(29-47(59)75-15)88-60-34(5)80-53(28-46(60)74-14)86-58-32(3)78-50(26-44(58)72-12)83-39-18-19-61(9)38(22-39)16-17-40-41(61)23-48(82-37(8)66)62(10)63(69,36(7)65)20-21-64(40,62)70/h16,30-35,39-60,67-70H,17-29H2,1-15H3/t30-,31+,32-,33+,34-,35+,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+/m1/s1 |
| InChIKey | NGBYNFODEMEVDO-GHJWMJONSA-N |
| Mol Weight | 1257.5 g/mol |
| Molecular Formula | C64H104O24 |
| Exact Mass | 1256.691754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5301V89ZaHO |
|---|---|
| Name | #13;12-O-ACETYL-PERGULARIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXYPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O24 |
| InChI | InChI=1S/C64H104O24/c1-30-55(68)43(71-11)25-51(76-30)84-56-31(2)77-49(24-42(56)67)85-57-33(4)79-52(27-45(57)73-13)87-59-35(6)81-54(29-47(59)75-15)88-60-34(5)80-53(28-46(60)74-14)86-58-32(3)78-50(26-44(58)72-12)83-39-18-19-61(9)38(22-39)16-17-40-41(61)23-48(82-37(8)66)62(10)63(69,36(7)65)20-21-64(40,62)70/h16,30-35,39-60,67-70H,17-29H2,1-15H3/t30-,31+,32-,33+,34-,35+,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+/m1/s1 |
| InChIKey | NGBYNFODEMEVDO-GHJWMJONSA-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 | 1257.515 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20837 |