| SpectraBase Compound ID | I8a626I8vDL |
|---|---|
| InChI | InChI=1S/C56H84O21/c1-27-44(59)49(68-11)45(60)51(72-27)77-48-30(4)71-43(25-38(48)67-10)76-47-29(3)70-42(24-37(47)66-9)75-46-28(2)69-41(23-36(46)65-8)73-33-17-18-52(6)32(22-33)16-19-55(63)39(52)26-40(74-50(61)34-14-12-13-15-35(34)58)53(7)54(62,31(5)57)20-21-56(53,55)64/h12-16,27-30,33,36-49,51,58-60,62-64H,17-26H2,1-11H3/t27?,28?,29?,30?,33-,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | WYKQROHHPVHQJF-UUPBNLRUSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C56H84O21 |
| Exact Mass | 1092.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0gnJUynfTV |
|---|---|
| Name | #15;12-O-SALICYLOYLDEACYLMETAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O21 |
| InChI | InChI=1S/C56H84O21/c1-27-44(59)49(68-11)45(60)51(72-27)77-48-30(4)71-43(25-38(48)67-10)76-47-29(3)70-42(24-37(47)66-9)75-46-28(2)69-41(23-36(46)65-8)73-33-17-18-52(6)32(22-33)16-19-55(63)39(52)26-40(74-50(61)34-14-12-13-15-35(34)58)53(7)54(62,31(5)57)20-21-56(53,55)64/h12-16,27-30,33,36-49,51,58-60,62-64H,17-26H2,1-11H3/t27?,28?,29?,30?,33-,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | WYKQROHHPVHQJF-UUPBNLRUSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1093.270 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20271 |