| SpectraBase Compound ID | KgkeTyrTuPX |
|---|---|
| InChI | InChI=1S/C44H58O20/c1-8-44(3,64-43-41(54)39(52)37(50)31(63-43)22-60-33(46)14-12-25-18-28(57-6)35(48)29(19-25)58-7)15-9-10-23(2)20-61-42-40(53)38(51)36(49)30(62-42)21-59-32(45)13-11-24-16-26(55-4)34(47)27(17-24)56-5/h8,10-14,16-19,30-31,36-43,47-54H,1,9,15,20-22H2,2-7H3/b13-11+,14-12+,23-10+/t30-,31+,36-,37+,38+,39-,40-,41+,42-,43-,44-/m1/s1 |
| InChIKey | KBAJSDRHWHYDES-LUJCQSQPSA-N |
| Mol Weight | 906.9 g/mol |
| Molecular Formula | C44H58O20 |
| Exact Mass | 906.352144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvMW5MfvqRG |
|---|---|
| Name | (3R)-8-HYDROXY-LINALOOL-3,8-DI-O-BETA-D-(6'-O-E-SINAPOYL)-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O20 |
| InChI | InChI=1S/C44H58O20/c1-8-44(3,64-43-41(54)39(52)37(50)31(63-43)22-60-33(46)14-12-25-18-28(57-6)35(48)29(19-25)58-7)15-9-10-23(2)20-61-42-40(53)38(51)36(49)30(62-42)21-59-32(45)13-11-24-16-26(55-4)34(47)27(17-24)56-5/h8,10-14,16-19,30-31,36-43,47-54H,1,9,15,20-22H2,2-7H3/b13-11+,14-12+,23-10+/t30-,31+,36-,37+,38+,39-,40-,41+,42-,43-,44-/m1/s1 |
| InChIKey | KBAJSDRHWHYDES-LUJCQSQPSA-N |
| Literature Reference Author | H.CHEN,Y.Z.ZHOU,L.QIAO,J.Q.CAO,Y.YAO,H.M.HUA,Y.H.PEI |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1416(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1416 |
| Molecular Weight | 906.933 g/mol |
| Sample ID | 56216 |
| Solvent | CD3OD |