![3-BETA-O-[ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->)]-CYLICODISCIC-ACID](/api/spectrum/7ZbC7PIJxfi/structure.png?h=300&w=458 "3-BETA-O-[ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->)]-CYLICODISCIC-ACID")
| SpectraBase Compound ID | 4RPZX7XfwkV |
|---|---|
| InChI | InChI=1S/C41H66O13/c1-20(2)21-9-14-40(36(49)50)15-16-41(19-43)22(28(21)40)7-8-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)53-35-32(48)33(30(46)24(17-42)52-35)54-34-31(47)29(45)23(44)18-51-34/h21-35,42-48H,1,7-19H2,2-6H3,(H,49,50)/t21-,22?,23-,24+,25?,26?,27-,28?,29-,30+,31+,32+,33-,34-,35-,38-,39+,40-,41-/m0/s1 |
| InChIKey | LQNGFZLUJCEDNJ-WSSMNLKXSA-N |
| Mol Weight | 767.0 g/mol |
| Molecular Formula | C41H66O13 |
| Exact Mass | 766.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZbC7PIJxfi |
|---|---|
| Name | 3-BETA-O-[ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->)]-CYLICODISCIC-ACID |
| Compound Number | S4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O13 |
| InChI | InChI=1S/C41H66O13/c1-20(2)21-9-14-40(36(49)50)15-16-41(19-43)22(28(21)40)7-8-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)53-35-32(48)33(30(46)24(17-42)52-35)54-34-31(47)29(45)23(44)18-51-34/h21-35,42-48H,1,7-19H2,2-6H3,(H,49,50)/t21-,22?,23-,24+,25?,26?,27-,28?,29-,30+,31+,32+,33-,34-,35-,38-,39+,40-,41-/m0/s1 |
| InChIKey | LQNGFZLUJCEDNJ-WSSMNLKXSA-N |
| Literature Reference Author | H.P.TCHIVOUNDA,B.KOUDOGBO,Y.BESACE,E.CASADEVALL |
| Literature Reference Citation | PHYTOCHEM.,30,2711(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85129-N |
| Molecular Weight | 766.967 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN30890 |