| SpectraBase Compound ID | jb23mfpJBQ |
|---|---|
| InChI | InChI=1S/C36H32O16/c37-23-5-1-17(9-26(23)40)3-8-33(45)51-32(36(49)50)14-20-13-29(43)30(44)15-21(20)22(19-4-7-25(39)28(42)12-19)16-34(46)52-31(35(47)48)11-18-2-6-24(38)27(41)10-18/h1-10,12-13,15,22,31-32,37-44H,11,14,16H2,(H,47,48)(H,49,50)/b8-3+/t22-,31+,32+/m0/s1 |
| InChIKey | RTPGOEQPYCTARL-FZIHJHPPSA-N |
| Mol Weight | 720.6 g/mol |
| Molecular Formula | C36H32O16 |
| Exact Mass | 720.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ddZkoqdmfB |
|---|---|
| Name | (7S,8'R,8''S)-RASHOMONIC-ACID-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H32O16 |
| InChI | InChI=1S/C36H32O16/c37-23-5-1-17(9-26(23)40)3-8-33(45)51-32(36(49)50)14-20-13-29(43)30(44)15-21(20)22(19-4-7-25(39)28(42)12-19)16-34(46)52-31(35(47)48)11-18-2-6-24(38)27(41)10-18/h1-10,12-13,15,22,31-32,37-44H,11,14,16H2,(H,47,48)(H,49,50)/b8-3+/t22-,31+,32+/m0/s1 |
| InChIKey | RTPGOEQPYCTARL-FZIHJHPPSA-N |
| Literature Reference Author | T.MURATA,T.MIYASE,F.YOSHIZAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,88(2011) |
| Literature Reference DOI | 10.1248/cpb.59.88 |
| Molecular Weight | 720.640 g/mol |
| Sample ID | 2638 |
| Solvent | CD3OD |