| SpectraBase Compound ID | 5ZJFJxSoObU |
|---|---|
| InChI | InChI=1S/C22H38O12/c1-25-10-12-13(27-3)14(28-4)15(29-5)19(33-12)34-20-16-21(23,8-9-32-20)17(30-6)18(31-7)22(16,24)11-26-2/h8-9,12-20,23-24H,10-11H2,1-7H3/t12-,13-,14+,15-,16-,17+,18+,19+,20-,21-,22+/m0/s1 |
| InChIKey | XBHNHPTWIGUXTF-WKSKVXHMSA-N |
| Mol Weight | 494.5 g/mol |
| Molecular Formula | C22H38O12 |
| Exact Mass | 494.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNgkRKiUeE9 |
|---|---|
| Name | HEPTA-O-METHYLCYNANCHOSID |
| CAS Registry Number | 86309-51-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38O12 |
| InChI | InChI=1S/C22H38O12/c1-25-10-12-13(27-3)14(28-4)15(29-5)19(33-12)34-20-16-21(23,8-9-32-20)17(30-6)18(31-7)22(16,24)11-26-2/h8-9,12-20,23-24H,10-11H2,1-7H3/t12-,13-,14+,15-,16-,17+,18+,19+,20-,21-,22+/m0/s1 |
| InChIKey | XBHNHPTWIGUXTF-WKSKVXHMSA-N |
| Literature Reference Author | E.DAVINI,C.IAVARONE,C.TROGOLO |
| Literature Reference Citation | J.ORG.CHEM.,48,2854(1983) |
| Literature Reference DOI | 10.1021/jo00165a014 |
| Molecular Weight | 494.537 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW13272 |