| SpectraBase Compound ID | I3ReDsSmVOH |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-31(2)11-12-36(30(44)45)19(13-31)18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-34(23,5)35(18,6)15-24(36)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19?,20-,21+,22?,23?,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | XFVGJHHHDVZQFB-XJLDYKOISA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CR68YaZrRqc |
|---|---|
| Name | POLYGALACIC-ACID-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-31(2)11-12-36(30(44)45)19(13-31)18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-34(23,5)35(18,6)15-24(36)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19?,20-,21+,22?,23?,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | XFVGJHHHDVZQFB-XJLDYKOISA-N |
| Literature Reference Author | S.HIRADATE,H.YADA,T.ISHII,N.NAKAJIMA,M.OHNISHI-KAMEYAMA,H.SU GIE,S.ZUNGSONTIPORN, |
| Literature Reference Citation | PHYTOCHEM.,52,1223(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00408-2 |
| Molecular Weight | 666.850 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN409 |