| SpectraBase Compound ID | CjE3CPeDryL |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-20-41(65-36-15-31(56-7)43(22(3)61-36)67-45-40(53)39(52)38(51)32(17-48)64-45)27(49)13-34(59-20)66-42-21(2)60-35(14-30(42)55-6)62-29-12-24-9-10-25-26(46(24,4)16-28(29)50)11-8-23-18-57-47(5)37(23)33(19-58-47)63-44(25)54/h9,18,20-22,25-43,45,48-53H,8,10-17,19H2,1-7H3/t20-,21+,22+,25?,26?,27+,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41-,42+,43+,45+,46+,47+/m1/s1 |
| InChIKey | PNOYMYGRNNZTRO-MKNNEBAVSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzGBJ9EuGYO |
|---|---|
| Name | GLAUCOGENIN-A-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-L-CYMAROPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-20-41(65-36-15-31(56-7)43(22(3)61-36)67-45-40(53)39(52)38(51)32(17-48)64-45)27(49)13-34(59-20)66-42-21(2)60-35(14-30(42)55-6)62-29-12-24-9-10-25-26(46(24,4)16-28(29)50)11-8-23-18-57-47(5)37(23)33(19-58-47)63-44(25)54/h9,18,20-22,25-43,45,48-53H,8,10-17,19H2,1-7H3/t20-,21+,22+,25?,26?,27+,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41-,42+,43+,45+,46+,47+/m1/s1 |
| InChIKey | PNOYMYGRNNZTRO-MKNNEBAVSA-N |
| Literature Reference Author | T.NAKAGAWA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,2244(1983) |
| Literature Reference DOI | 10.1248/cpb.31.2244 |
| Molecular Weight | 957.077 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1160 |