| SpectraBase Compound ID | 4meVrxKtvN |
|---|---|
| InChI | InChI=1S/C56H84O20/c1-28-44(58)49(67-11)45(59)51(71-28)76-48-31(4)70-43(26-38(48)66-10)75-47-30(3)69-42(25-37(47)65-9)74-46-29(2)68-41(24-36(46)64-8)72-35-18-19-52(6)34(23-35)17-20-55(62)39(52)27-40(73-50(60)33-15-13-12-14-16-33)53(7)54(61,32(5)57)21-22-56(53,55)63/h12-17,28-31,35-49,51,58-59,61-63H,18-27H2,1-11H3/t28-,29+,30-,31+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | CTGMGSTZRJVWLC-DIQKVUASSA-N |
| Mol Weight | 1077.3 g/mol |
| Molecular Formula | C56H84O20 |
| Exact Mass | 1076.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8DGJkfOEwv |
|---|---|
| Name | #3;12-O-BENZOYLDEACYLMETAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O20 |
| InChI | InChI=1S/C56H84O20/c1-28-44(58)49(67-11)45(59)51(71-28)76-48-31(4)70-43(26-38(48)66-10)75-47-30(3)69-42(25-37(47)65-9)74-46-29(2)68-41(24-36(46)64-8)72-35-18-19-52(6)34(23-35)17-20-55(62)39(52)27-40(73-50(60)33-15-13-12-14-16-33)53(7)54(61,32(5)57)21-22-56(53,55)63/h12-17,28-31,35-49,51,58-59,61-63H,18-27H2,1-11H3/t28-,29+,30-,31+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | CTGMGSTZRJVWLC-DIQKVUASSA-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 | 1077.271 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20259 |