| SpectraBase Compound ID | 54Sn8mYiZzh |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22?,23?,24?,25-,26+,27-,28?,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | RRIMLWHUVCZACL-YAYYCGEXSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nMW2CfXkgv |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-POMOLIC-ACIDESTER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22?,23?,24?,25-,26+,27-,28?,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | RRIMLWHUVCZACL-YAYYCGEXSA-N |
| Literature Reference Author | D.L.CHENG,X.P.CAO |
| Literature Reference Citation | PHYTOCHEM.,31,1317(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80499-5 |
| Molecular Weight | 634.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN5164 |