| SpectraBase Compound ID | DHS85rtkoAT |
|---|---|
| InChI | InChI=1S/C47H72O21/c1-19-41(66-35-14-30(57-7)43(21(3)62-35)68-45-40(54)39(53)38(52)31(16-48)65-45)26(50)12-33(60-19)67-42-20(2)61-34(13-29(42)56-6)63-28-11-23-8-9-24-37(46(23,4)15-27(28)51)25(49)10-22-17-58-47(5)36(22)32(18-59-47)64-44(24)55/h8,17,19-21,24-43,45,48-54H,9-16,18H2,1-7H3/t19-,20+,21+,24?,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 | YRUHTMULTSHRCX-AAEWEEOJSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C47H72O21 |
| Exact Mass | 972.456609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RRYyWFG4jR |
|---|---|
| Name | GLAUCOGENIN-B-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O21 |
| InChI | InChI=1S/C47H72O21/c1-19-41(66-35-14-30(57-7)43(21(3)62-35)68-45-40(54)39(53)38(52)31(16-48)65-45)26(50)12-33(60-19)67-42-20(2)61-34(13-29(42)56-6)63-28-11-23-8-9-24-37(46(23,4)15-27(28)51)25(49)10-22-17-58-47(5)36(22)32(18-59-47)64-44(24)55/h8,17,19-21,24-43,45,48-54H,9-16,18H2,1-7H3/t19-,20+,21+,24?,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 | YRUHTMULTSHRCX-AAEWEEOJSA-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 | 973.076 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1164 |