| SpectraBase Compound ID | 3jAd9jnaxnF |
|---|---|
| InChI | InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29+,30+,31+,34-,35+,37+/m1/s1 |
| InChIKey | MIJTXBNFQDJTPL-PXORYUGNSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C37H46O10 |
| Exact Mass | 650.309098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFLoK0jhkx7 |
|---|---|
| Name | 2-DEACETOXY-TAXININE_J;2-DAT-J |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O10 |
| InChI | InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29+,30+,31+,34-,35+,37+/m1/s1 |
| InChIKey | MIJTXBNFQDJTPL-PXORYUGNSA-N |
| Literature Reference Author | T.NARENDER,K.P.REDDY,V.K.SINGH,K.RAJENDAR,J.SARKAR |
| Literature Reference Citation | J.NAT.PROD.,73,747(2010) |
| Literature Reference DOI | 10.1021/np900722j |
| Molecular Weight | 650.766 g/mol |
| Sample ID | 35381 |
| Solvent | CDCl3 |