| SpectraBase Compound ID | LQU148g9sie |
|---|---|
| InChI | InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27+,29+,30+,32+,33+,34+,35-/m0/s1 |
| InChIKey | NCMOHDQDZGQJRD-SVZUZSKBSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C35H42O9 |
| Exact Mass | 606.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97Jyq83j8cn |
|---|---|
| Name | CASEOBLIQUIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42O9 |
| InChI | InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27+,29+,30+,32+,33+,34+,35-/m0/s1 |
| InChIKey | NCMOHDQDZGQJRD-SVZUZSKBSA-N |
| Literature Reference Author | G.M.V.JUNIOR,T.D.O.GONCALVES,L.O.REGASINI,P.M.P.FERREIRA,C.D .O.PESSOA,L.V.C.LOTU |
| Literature Reference Citation | J.NAT.PROD.,72,1847(2009) |
| Literature Reference DOI | 10.1021/np9004079 |
| Molecular Weight | 606.713 g/mol |
| Sample ID | 33726 |
| Solvent | CD3OD |