| SpectraBase Compound ID | 12rBL4FgSw2 |
|---|---|
| InChI | InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25-,27+,28+,30+,31+,32-,33-/m0/s1 |
| InChIKey | NVVFTAMNEDAOEH-GRWYDIJISA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C33H40O10 |
| Exact Mass | 596.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmMUsYHH2WY |
|---|---|
| Name | CASEOBLIQUIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O10 |
| InChI | InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25-,27+,28+,30+,31+,32-,33-/m0/s1 |
| InChIKey | NVVFTAMNEDAOEH-GRWYDIJISA-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 | 596.675 g/mol |
| Sample ID | 33725 |
| Solvent | CD3OD |