| SpectraBase Compound ID | DVsDlGL6LlS |
|---|---|
| InChI | InChI=1S/C27H26O13/c28-17-3-1-12(5-19(17)30)6-24(27(38)39)40-25(35)11-16(13-2-4-18(29)20(31)7-13)15-10-22(33)21(32)8-14(15)9-23(34)26(36)37/h1-5,7-8,10,16,23-24,28-34H,6,9,11H2,(H,36,37)(H,38,39)/t16-,23+,24+/m0/s1 |
| InChIKey | XDOPOYUXTRRBDZ-NAKSJZFLSA-N |
| Mol Weight | 558.49 g/mol |
| Molecular Formula | C27H26O13 |
| Exact Mass | 558.137341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dl6jlJFeWw |
|---|---|
| Name | (7S,8'R,8''S)-RASHOMONIC-ACID-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H26O13 |
| InChI | InChI=1S/C27H26O13/c28-17-3-1-12(5-19(17)30)6-24(27(38)39)40-25(35)11-16(13-2-4-18(29)20(31)7-13)15-10-22(33)21(32)8-14(15)9-23(34)26(36)37/h1-5,7-8,10,16,23-24,28-34H,6,9,11H2,(H,36,37)(H,38,39)/t16-,23+,24+/m0/s1 |
| InChIKey | XDOPOYUXTRRBDZ-NAKSJZFLSA-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 | 558.496 g/mol |
| Sample ID | 2636 |
| Solvent | CD3OD |