| SpectraBase Compound ID | AQMBroPHG3U |
|---|---|
| InChI | InChI=1S/C50H60O24/c1-63-21-7-3-19(4-8-21)27-28(20-5-9-22(64-2)10-6-20)30(44(62)68-18-50-32-24(34(54)42(50)74-50)12-14-66-46(32)72-48-40(60)38(58)36(56)26(16-52)70-48)29(27)43(61)67-17-49-31-23(33(53)41(49)73-49)11-13-65-45(31)71-47-39(59)37(57)35(55)25(15-51)69-47/h3-14,23-42,45-48,51-60H,15-18H2,1-2H3/t23-,24-,25+,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | BUNSCADIFDQJRY-VPKKJVQFSA-N |
| Mol Weight | 1045.0 g/mol |
| Molecular Formula | C50H60O24 |
| Exact Mass | 1044.347453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ObHPc7juba |
|---|---|
| Name | 4',4'-DIMETHOXY-BETA-TRUXINIC-ACID-CATALPOL-DIESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H60O24 |
| InChI | InChI=1S/C50H60O24/c1-63-21-7-3-19(4-8-21)27-28(20-5-9-22(64-2)10-6-20)30(44(62)68-18-50-32-24(34(54)42(50)74-50)12-14-66-46(32)72-48-40(60)38(58)36(56)26(16-52)70-48)29(27)43(61)67-17-49-31-23(33(53)41(49)73-49)11-13-65-45(31)71-47-39(59)37(57)35(55)25(15-51)69-47/h3-14,23-42,45-48,51-60H,15-18H2,1-2H3/t23-,24-,25+,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | BUNSCADIFDQJRY-VPKKJVQFSA-N |
| Literature Reference Author | H.SUDO,T.IDE,H.OTSUKA,E.HIRATA,A.TAKUSHI,T.SHINZATO,Y.TAKEDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,542(2000) |
| Literature Reference DOI | 10.1248/cpb.48.542 |
| Molecular Weight | 1045.012 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU5058 |