| SpectraBase Compound ID | 3a3MBa87nS8 |
|---|---|
| InChI | InChI=1S/C26H36O8/c1-14(2)10-23(32-17(5)27)25(33-18(6)28)22-13-31-26(34-19(7)29)24-16(4)12-20(30)11-15(3)8-9-21(22)24/h10-11,13,20-21,23-26,30H,4,8-9,12H2,1-3,5-7H3/b15-11-/t20?,21?,23?,24-,25+,26+/m0/s1 |
| InChIKey | BVHUFJCFOXAURN-OCEHYGQGSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C26H36O8 |
| Exact Mass | 476.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | y4zvQHji6o |
|---|---|
| Name | 13-EPI-9-DESACETYLXENICIN |
| CAS Registry Number | 74175-96-5 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O8 |
| InChI | InChI=1S/C26H36O8/c1-14(2)10-23(32-17(5)27)25(33-18(6)28)22-13-31-26(34-19(7)29)24-16(4)12-20(30)11-15(3)8-9-21(22)24/h10-11,13,20-21,23-26,30H,4,8-9,12H2,1-3,5-7H3/b15-11-/t20?,21?,23?,24-,25+,26+/m0/s1 |
| InChIKey | BVHUFJCFOXAURN-OCEHYGQGSA-N |
| Literature Reference Author | Y.KASHMAN,A.GROWEISS |
| Literature Reference Citation | J.ORG.CHEM.,45,3814(1980) |
| Literature Reference DOI | 10.1021/jo01307a017 |
| Molecular Weight | 476.567 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW21386 |