| SpectraBase Compound ID | 9oOreQiy2D |
|---|---|
| InChI | InChI=1S/C39H56N2O11/c1-23(2)28-11-9-24(3)29-16-32(51-33(45)12-10-27-17-41(8)22-40-27)38(7)13-14-39(52-38,49-21-37(5,6)20-42)26(15-30(28)29)18-47-36-35(50-25(4)43)34(46)31(44)19-48-36/h9-10,12-15,17,22-23,28-32,34-36,42,44,46H,11,16,18-21H2,1-8H3/b12-10+,26-15-/t28-,29+,30-,31-,32+,34-,35+,36-,38+,39-/m1/s1 |
| InChIKey | QDIHVYNYWHNLAO-LUCLAKNASA-N |
| Mol Weight | 728.9 g/mol |
| Molecular Formula | C39H56N2O11 |
| Exact Mass | 728.388411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81K0NkkIO99 |
|---|---|
| Name | 2,2-DIMETHYL-3-HYDROXYPROPYLELEUTHEROBIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56N2O11 |
| InChI | InChI=1S/C39H56N2O11/c1-23(2)28-11-9-24(3)29-16-32(51-33(45)12-10-27-17-41(8)22-40-27)38(7)13-14-39(52-38,49-21-37(5,6)20-42)26(15-30(28)29)18-47-36-35(50-25(4)43)34(46)31(44)19-48-36/h9-10,12-15,17,22-23,28-32,34-36,42,44,46H,11,16,18-21H2,1-8H3/b12-10+,26-15-/t28-,29+,30-,31-,32+,34-,35+,36-,38+,39-/m1/s1 |
| InChIKey | QDIHVYNYWHNLAO-LUCLAKNASA-N |
| Literature Reference Author | R.BRITTON,E.D.D.SILVA,C.M.BIGG,L.M.MCHARDY,M.ROBERGE,R.J.AND ERSEN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,8632(2001) |
| Literature Reference DOI | 10.1021/ja016459q |
| Molecular Weight | 728.880 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN30286 |