| SpectraBase Compound ID | 8R9fJTbkC6N |
|---|---|
| InChI | InChI=1S/C34H46O9/c1-17(35)37-21-15-19-25-39-27-33(19,31(7)13-9-11-29(3,4)23(21)31)43-26-20-16-22(38-18(2)36)24-30(5,6)12-10-14-32(24,8)34(20,42-25)28(40-26)41-27/h15-16,21-28H,9-14H2,1-8H3/t21-,22-,23+,24+,25?,26?,27+,28+,31+,32+,33+,34+/m1/s1 |
| InChIKey | GQFKYZWGIYNOQM-HTUHVZIHSA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C34H46O9 |
| Exact Mass | 598.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rXTKztqsIq |
|---|---|
| Name | CINNAFRAGIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O9 |
| InChI | InChI=1S/C34H46O9/c1-17(35)37-21-15-19-25-39-27-33(19,31(7)13-9-11-29(3,4)23(21)31)43-26-20-16-22(38-18(2)36)24-30(5,6)12-10-14-32(24,8)34(20,42-25)28(40-26)41-27/h15-16,21-28H,9-14H2,1-8H3/t21-,22-,23+,24+,25?,26?,27+,28+,31+,32+,33+,34+/m1/s1 |
| InChIKey | GQFKYZWGIYNOQM-HTUHVZIHSA-N |
| Literature Reference Author | L.HARINAANTENAINA,Y.ASAKAWA,E.DECLERCQ |
| Literature Reference Citation | J.NAT.PROD.,70,277(2007) |
| Literature Reference DOI | 10.1021/np060435l |
| Molecular Weight | 598.734 g/mol |
| Sample ID | 29672 |
| Solvent | CDCl3 |