| SpectraBase Compound ID | 9dyFqwyNmV7 |
|---|---|
| InChI | InChI=1S/C28H38O5/c1-17(29)21-12-14-28(32)22-10-9-19-15-20(30)11-13-26(19,2)23(22)16-24(27(21,28)3)33-25(31)18-7-5-4-6-8-18/h4-9,17,20-24,29-30,32H,10-16H2,1-3H3/t17-,20+,21-,22?,23?,24-,26+,27+,28+/m1/s1 |
| InChIKey | RYISHMXWTYFBGL-PVGOYQFPSA-N |
| Mol Weight | 454.6 g/mol |
| Molecular Formula | C28H38O5 |
| Exact Mass | 454.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HM6ubuLcXmk |
|---|---|
| Name | 12-O-BENZOYL_BOUCERIN |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O5 |
| InChI | InChI=1S/C28H38O5/c1-17(29)21-12-14-28(32)22-10-9-19-15-20(30)11-13-26(19,2)23(22)16-24(27(21,28)3)33-25(31)18-7-5-4-6-8-18/h4-9,17,20-24,29-30,32H,10-16H2,1-3H3/t17-,20+,21-,22?,23?,24-,26+,27+,28+/m1/s1 |
| InChIKey | RYISHMXWTYFBGL-PVGOYQFPSA-N |
| Literature Reference Author | T.TANAKA,S.TSUKAMOTO,K.HAYASHI |
| Literature Reference Citation | PHYTOCHEM.,29,229(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89040-G |
| Molecular Weight | 454.607 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25525 |