| SpectraBase Compound ID | 8ai69Yaupc8 |
|---|---|
| InChI | InChI=1S/C41H62O13/c1-36(2)14-16-41(35(49)54-33-30(46)29(45)28(44)23(19-42)51-33)17-15-39(6)21(22(41)18-36)8-9-25-38(5)12-11-26(37(3,4)24(38)10-13-40(25,39)7)52-34-31(32(47)48)53-27(43)20-50-34/h8,22-26,28-31,33-34,42,44-46H,9-20H2,1-7H3,(H,47,48)/t22-,23+,24-,25+,26-,28+,29-,30+,31?,33-,34?,38-,39+,40+,41-/m0/s1 |
| InChIKey | CGZZDJKOUOCMMX-YQMNNDMESA-N |
| Mol Weight | 762.9 g/mol |
| Molecular Formula | C41H62O13 |
| Exact Mass | 762.419042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2n5w9ePvBU9 |
|---|---|
| Name | 3-O-(6-CARBOXY-1,4-DIOXAN-2-ONE-5-YL)-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O13 |
| InChI | InChI=1S/C41H62O13/c1-36(2)14-16-41(35(49)54-33-30(46)29(45)28(44)23(19-42)51-33)17-15-39(6)21(22(41)18-36)8-9-25-38(5)12-11-26(37(3,4)24(38)10-13-40(25,39)7)52-34-31(32(47)48)53-27(43)20-50-34/h8,22-26,28-31,33-34,42,44-46H,9-20H2,1-7H3,(H,47,48)/t22-,23+,24-,25+,26-,28+,29-,30+,31?,33-,34?,38-,39+,40+,41-/m0/s1 |
| InChIKey | CGZZDJKOUOCMMX-YQMNNDMESA-N |
| Literature Reference Author | G.MASSIOT,M.G.DIJOUX,C.LAVAUD,L.L.MEN-OLIVIER,J.D.CONNOLLY,D .M.SHEELEY |
| Literature Reference Citation | PHYTOCHEM.,37,1667(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89589-8 |
| Molecular Weight | 762.935 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6429 |