| SpectraBase Compound ID | ISQFaEviIBC |
|---|---|
| InChI | InChI=1S/C36H54O18/c1-16(2)25-12-11-17(3)13-26(25)52-36-34(51-24(10)43)32(49-22(8)41)30(47-20(6)39)28(54-36)15-45-35-33(50-23(9)42)31(48-21(7)40)29(46-19(5)38)27(53-35)14-44-18(4)37/h16-17,25-36H,11-15H2,1-10H3/t17-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1 |
| InChIKey | QRSQZPLEDUJJCM-WYGMJFRYSA-N |
| Mol Weight | 774.8 g/mol |
| Molecular Formula | C36H54O18 |
| Exact Mass | 774.331015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61E9mxkDPdJ |
|---|---|
| Name | (-)-MENTHOL-3-O-BETA-D-GENTIOBIOSIDE-HEPTAACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O18 |
| InChI | InChI=1S/C36H54O18/c1-16(2)25-12-11-17(3)13-26(25)52-36-34(51-24(10)43)32(49-22(8)41)30(47-20(6)39)28(54-36)15-45-35-33(50-23(9)42)31(48-21(7)40)29(46-19(5)38)27(53-35)14-44-18(4)37/h16-17,25-36H,11-15H2,1-10H3/t17-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1 |
| InChIKey | QRSQZPLEDUJJCM-WYGMJFRYSA-N |
| Literature Reference Author | Y.ORIHARA,H.MIYATAKE,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,30,1843(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85025-U |
| Molecular Weight | 774.814 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU27568 |