| SpectraBase Compound ID | 4e7qtnaO4fT |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29-,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | MLKQAGPAYHTNQQ-UCGHJUDLSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C36H58O10 |
| Exact Mass | 650.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChTNE1c60bb |
|---|---|
| Name | TORMENTIC-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 | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29-,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | MLKQAGPAYHTNQQ-UCGHJUDLSA-N |
| Literature Reference Author | D.G.DURHAM,X.LIU,R.M.E.RICHARDS |
| Literature Reference Citation | PHYTOCHEM.,36,1469(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89744-7 |
| Molecular Weight | 650.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26416 |