| SpectraBase Compound ID | DUNC17aErTr |
|---|---|
| InChI | InChI=1S/C36H42O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-26(15-29(42)45-6)25(27(16-49-35)34(44)46-7)14-30(43)47-13-12-23-8-10-24(11-9-23)50-19(2)38/h8-11,15-16,25,28,31-33,35-36H,12-14,17H2,1-7H3/b26-15+/t25-,28-,31-,32+,33-,35-,36+/m1/s1 |
| InChIKey | BFMAVBSGXNCJQD-IPHLGQGJSA-N |
| Mol Weight | 778.7 g/mol |
| Molecular Formula | C36H42O19 |
| Exact Mass | 778.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cs0U1gHZ9R |
|---|---|
| Name | LIGUSTROSIDIC-ACID-METHYLESTER-PENTAACETATE |
| Compound Number | 195 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O19 |
| InChI | InChI=1S/C36H42O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-26(15-29(42)45-6)25(27(16-49-35)34(44)46-7)14-30(43)47-13-12-23-8-10-24(11-9-23)50-19(2)38/h8-11,15-16,25,28,31-33,35-36H,12-14,17H2,1-7H3/b26-15+/t25-,28-,31-,32+,33-,35-,36+/m1/s1 |
| InChIKey | BFMAVBSGXNCJQD-IPHLGQGJSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 778.718 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4566 |