| SpectraBase Compound ID | 37brI141u4x |
|---|---|
| InChI | InChI=1S/C36H46O11/c1-10-18(2)33(41)47-27-15-26(44-20(4)38)34(6,17-37)31-30(45-21(5)39)32-36(8,25(35(27,31)7)14-28(40)42-9)29-19(3)23(13-24(29)46-32)22-11-12-43-16-22/h10-12,16-17,23-27,30-32H,13-15H2,1-9H3/b18-10+/t23-,24-,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
| InChIKey | JNBSJMPPKYBATA-ISGCIXFTSA-N |
| Mol Weight | 654.8 g/mol |
| Molecular Formula | C36H46O11 |
| Exact Mass | 654.304012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bg6nfvxsAwJ |
|---|---|
| Name | 3-O-ACETYLOHCHINOLAL |
| Compound Number | 45 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O11 |
| InChI | InChI=1S/C36H46O11/c1-10-18(2)33(41)47-27-15-26(44-20(4)38)34(6,17-37)31-30(45-21(5)39)32-36(8,25(35(27,31)7)14-28(40)42-9)29-19(3)23(13-24(29)46-32)22-11-12-43-16-22/h10-12,16-17,23-27,30-32H,13-15H2,1-9H3/b18-10+/t23-,24-,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
| InChIKey | JNBSJMPPKYBATA-ISGCIXFTSA-N |
| Literature Reference Author | M.NAKATANI |
| Literature Reference Citation | HETEROCYCLES,50,595(1999) |
| Literature Reference DOI | 10.3987/REV-98-SR(H)5 |
| Molecular Weight | 654.755 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU2924 |