| SpectraBase Compound ID | FmR19AAvlNd |
|---|---|
| InChI | InChI=1S/C47H74O19/c1-42(2)14-15-47(41(60)66-39-32(55)30(53)29(52)23(18-48)62-39)21(16-42)20-8-9-25-44(5)12-11-27(43(3,4)24(44)10-13-45(25,6)46(20,7)17-26(47)50)63-40-34(57)35(33(56)36(65-40)37(58)59)64-38-31(54)28(51)22(49)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47+/m0/s1 |
| InChIKey | CGHIFJOGGKUIFS-SPTOROIVSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C47H74O19 |
| Exact Mass | 942.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 862dzuIuVP8 |
|---|---|
| Name | GORDONOSIDE_K;3-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL_ACACIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O19 |
| InChI | InChI=1S/C47H74O19/c1-42(2)14-15-47(41(60)66-39-32(55)30(53)29(52)23(18-48)62-39)21(16-42)20-8-9-25-44(5)12-11-27(43(3,4)24(44)10-13-45(25,6)46(20,7)17-26(47)50)63-40-34(57)35(33(56)36(65-40)37(58)59)64-38-31(54)28(51)22(49)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47+/m0/s1 |
| InChIKey | CGHIFJOGGKUIFS-SPTOROIVSA-N |
| Literature Reference Author | H.Z.FU,C.J.LI,J.Z.YANG,Z.F.SHEN,D.M.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,74,1066(2011) |
| Literature Reference DOI | 10.1021/np200021f |
| Molecular Weight | 943.093 g/mol |
| Sample ID | 38142 |
| Solvent | C5D5N |