| SpectraBase Compound ID | 1LIp9lD7CgE |
|---|---|
| InChI | InChI=1S/C44H70O17/c1-19-8-11-44(56-16-19)20(2)30-27(61-44)13-26-24-7-6-22-12-23(58-40-37(52)43(53,18-55-40)17-54-38-35(50)33(48)31(46)21(3)57-38)9-10-41(22,4)25(24)14-29(42(26,30)5)60-39-36(51)34(49)32(47)28(15-45)59-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | NKULFBWOYXRMIP-YGEQTYTFSA-N |
| Mol Weight | 871.0 g/mol |
| Molecular Formula | C44H70O17 |
| Exact Mass | 870.461301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EczYtA0duRY |
|---|---|
| Name | 3-O-BETA-D-ALLOMETHYL0PYRANOSYL-(1->5)-BETA-D-APIOFURANOSYL-HELONIOGENIN-12-O-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O17 |
| InChI | InChI=1S/C44H70O17/c1-19-8-11-44(56-16-19)20(2)30-27(61-44)13-26-24-7-6-22-12-23(58-40-37(52)43(53,18-55-40)17-54-38-35(50)33(48)31(46)21(3)57-38)9-10-41(22,4)25(24)14-29(42(26,30)5)60-39-36(51)34(49)32(47)28(15-45)59-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | NKULFBWOYXRMIP-YGEQTYTFSA-N |
| Literature Reference Author | K.NAKANO,K.MURAKAMI,Y.TAKAISHI,T.TOMIMATSU,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,37,116(1989) |
| Literature Reference DOI | 10.1248/cpb.37.116 |
| Molecular Weight | 871.030 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1313 |