| SpectraBase Compound ID | J02p1e0lFfC |
|---|---|
| InChI | InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23?,25+,26-,27+,28?/m0/s1 |
| InChIKey | JTACQGNVQPQYQN-IRPYHMKWSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C28H38O9 |
| Exact Mass | 518.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GV57VTNvc3o |
|---|---|
| Name | XENICIN |
| CAS Registry Number | 64504-52-5 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O9 |
| InChI | InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23?,25+,26-,27+,28?/m0/s1 |
| InChIKey | JTACQGNVQPQYQN-IRPYHMKWSA-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 | 518.604 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW21383 |