| SpectraBase Compound ID | DBVJNRcGhUU |
|---|---|
| InChI | InChI=1S/C27H36O12/c1-27(2,13-3-7-15(29)8-4-13)14-5-9-16(10-6-14)37-26-24(35)22(33)20(31)18(39-26)12-36-25-23(34)21(32)19(30)17(11-28)38-25/h3-10,17-26,28-35H,11-12H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1 |
| InChIKey | XMTDILIMBUGKIB-RNDJEAJNSA-N |
| Mol Weight | 552.6 g/mol |
| Molecular Formula | C27H36O12 |
| Exact Mass | 552.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Mq1RMb5GuA |
|---|---|
| Name | 4,4'-ISOPROPYLIDENEDIPHENOL-MONO-O-BETA-D-GENTIOBIOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O12 |
| InChI | InChI=1S/C27H36O12/c1-27(2,13-3-7-15(29)8-4-13)14-5-9-16(10-6-14)37-26-24(35)22(33)20(31)18(39-26)12-36-25-23(34)21(32)19(30)17(11-28)38-25/h3-10,17-26,28-35H,11-12H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1 |
| InChIKey | XMTDILIMBUGKIB-RNDJEAJNSA-N |
| Literature Reference Author | N.NAKAJIMA,Y.OSHIMA,J.S.EDMONDS,M.MORITA |
| Literature Reference Citation | PHYTOCHEM.,65,1383(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.02.027 |
| Molecular Weight | 552.576 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN31348 |