| SpectraBase Compound ID | AbTYIZRdsz6 |
|---|---|
| InChI | InChI=1S/C25H30O13/c1-10(18(28)32-6)14-8-16(33-11(2)26)15-7-13(35-19(15)29)9-22(4)20(36-22)24(30)21-23(5,37-21)25(31,38-24)17(14)34-12(3)27/h7,13-14,16-17,20-21,30-31H,1,8-9H2,2-6H3/t13-,14+,16-,17+,20+,21+,22-,23-,24+,25-/m1/s1 |
| InChIKey | KQNTYLDBCDIZDP-LHJGUSNNSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C25H30O13 |
| Exact Mass | 538.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkOgEaHdTGX |
|---|---|
| Name | BIPINNATIN_L |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c1-10(18(28)32-6)14-8-16(33-11(2)26)15-7-13(35-19(15)29)9-22(4)20(36-22)24(30)21-23(5,37-21)25(31,38-24)17(14)34-12(3)27/h7,13-14,16-17,20-21,30-31H,1,8-9H2,2-6H3/t13-,14+,16-,17+,20+,21+,22-,23-,24+,25-/m1/s1 |
| InChIKey | KQNTYLDBCDIZDP-LHJGUSNNSA-N |
| Literature Reference Author | J.MARRERO,J.BENITEZ,A.D.RODRIGUEZ,H.ZHAO,R.G.RAPTIS |
| Literature Reference Citation | J.NAT.PROD.,71,381(2008) |
| Literature Reference DOI | 10.1021/np0705561 |
| Molecular Weight | 538.505 g/mol |
| Sample ID | 27531 |
| Solvent | CDCl3 |