| SpectraBase Compound ID | 5vEagARyhsg |
|---|---|
| InChI | InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40-,41+,42+,43-/m0/s1 |
| InChIKey | MUEUOXPTUMGVJS-BQCKFNBUSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C43H66O16 |
| Exact Mass | 838.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kcu0Agypac |
|---|---|
| Name | 3-O-BETA-D-GLUCURONOPYRANOSYL-SERJANIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O16 |
| InChI | InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40-,41+,42+,43-/m0/s1 |
| InChIKey | MUEUOXPTUMGVJS-BQCKFNBUSA-N |
| Literature Reference Author | T.KULJANABHAGAVAD,P.THONGPHASUK,W.CHAMULITRAT,M.WINK |
| Literature Reference Citation | PHYTOCHEM.,69,1919(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.001 |
| Molecular Weight | 838.987 g/mol |
| Sample ID | 44183 |
| Solvent | C5D5N |