| SpectraBase Compound ID | 3bNriPOCpLI |
|---|---|
| InChI | InChI=1S/C34H33NO12/c1-46-20-7-5-19(6-8-20)35-31-29-17(4-11-27(40)47-26(33(42)43)13-16-2-9-22(36)24(38)12-16)14-21(32(31)41)28(30(29)34(44)45)18-3-10-23(37)25(39)15-18/h2-12,14-15,21,26,28-32,35-39,41H,13H2,1H3,(H,42,43)(H,44,45)/b11-4+/t21-,26?,28+,29+,30-,31+,32-/m1/s1 |
| InChIKey | HUMVFFNQWCMWNI-IKGKMMBZSA-N |
| Mol Weight | 647.6 g/mol |
| Molecular Formula | C34H33NO12 |
| Exact Mass | 647.200275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXb47iICPNY |
|---|---|
| Name | 3,N-DIHYDRO-3-(4-METHOXYPHENYL)-IMINO-YUNNANEIC-ACID-D |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H33NO12 |
| InChI | InChI=1S/C34H33NO12/c1-46-20-7-5-19(6-8-20)35-31-29-17(4-11-27(40)47-26(33(42)43)13-16-2-9-22(36)24(38)12-16)14-21(32(31)41)28(30(29)34(44)45)18-3-10-23(37)25(39)15-18/h2-12,14-15,21,26,28-32,35-39,41H,13H2,1H3,(H,42,43)(H,44,45)/b11-4+/t21-,26?,28+,29+,30-,31+,32-/m1/s1 |
| InChIKey | HUMVFFNQWCMWNI-IKGKMMBZSA-N |
| Literature Reference Author | T.TANAKA,A.NISHIMURA,I.KUONO,G.I.NONAKA,T.J.YOUNG |
| Literature Reference Citation | J.NAT.PROD.,59,843(1996) |
| Literature Reference DOI | 10.1021/np960425s |
| Molecular Weight | 647.636 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRK836 |