![7-[(3R)-[(4-HYDROXYPHENYL)-BUTYL]-BETA-GLUCOPYRANOSID-O-6-YL]-4-O-BETA-GLUCOPYRANOSYL-VANILLIN](/api/spectrum/CCTtAkg8sqR/structure.png?h=300&w=458 "7-[(3R)-[(4-HYDROXYPHENYL)-BUTYL]-BETA-GLUCOPYRANOSID-O-6-YL]-4-O-BETA-GLUCOPYRANOSYL-VANILLIN")
| SpectraBase Compound ID | Krli2pCaafq |
|---|---|
| InChI | InChI=1S/C30H40O15/c1-14(3-4-15-5-8-17(32)9-6-15)42-29-26(37)25(36)23(34)21(45-29)13-41-28(39)16-7-10-18(19(11-16)40-2)43-30-27(38)24(35)22(33)20(12-31)44-30/h5-11,14,20-27,29-38H,3-4,12-13H2,1-2H3/t14-,20-,21+,22-,23+,24+,25-,26+,27-,29+,30-/m1/s1 |
| InChIKey | ONTDCOYNGXFCNI-JKKMAOROSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C30H40O15 |
| Exact Mass | 640.236721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCTtAkg8sqR |
|---|---|
| Name | 7-[(3R)-[(4-HYDROXYPHENYL)-BUTYL]-BETA-GLUCOPYRANOSID-O-6-YL]-4-O-BETA-GLUCOPYRANOSYL-VANILLIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O15 |
| InChI | InChI=1S/C30H40O15/c1-14(3-4-15-5-8-17(32)9-6-15)42-29-26(37)25(36)23(34)21(45-29)13-41-28(39)16-7-10-18(19(11-16)40-2)43-30-27(38)24(35)22(33)20(12-31)44-30/h5-11,14,20-27,29-38H,3-4,12-13H2,1-2H3/t14-,20-,21+,22-,23+,24+,25-,26+,27-,29+,30-/m1/s1 |
| InChIKey | ONTDCOYNGXFCNI-JKKMAOROSA-N |
| Literature Reference Author | J.LIIMATAINEN,J.SINKKONEN,M.KARONEN,K.PIHLAJA |
| Literature Reference Citation | MAGN.RES.CHEM.,46,195(2008) |
| Literature Reference DOI | 10.1002/mrc.2163 |
| Molecular Weight | 640.639 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR17455 |