| SpectraBase Compound ID | 77V0rJLzNDx |
|---|---|
| InChI | InChI=1S/C36H50O9/c1-9-11-12-13-14-15-16-17-32(40)44-31-20-24(4)35(8,19-18-23(3)10-2)30-22-28(41-25(5)37)21-29-33(42-26(6)38)45-34(36(29,30)31)43-27(7)39/h10,14-17,21,24,28,30-31,33-34H,2-3,9,11-13,18-20,22H2,1,4-8H3/b15-14+,17-16+/t24-,28+,30+,31+,33+,34-,35-,36-/m1/s1 |
| InChIKey | MTAOKZKJEVCMNW-SKHZLMGXSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C36H50O9 |
| Exact Mass | 626.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GP2LcCnOGPl |
|---|---|
| Name | PITUMBIN-ACETATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O9 |
| InChI | InChI=1S/C36H50O9/c1-9-11-12-13-14-15-16-17-32(40)44-31-20-24(4)35(8,19-18-23(3)10-2)30-22-28(41-25(5)37)21-29-33(42-26(6)38)45-34(36(29,30)31)43-27(7)39/h10,14-17,21,24,28,30-31,33-34H,2-3,9,11-13,18-20,22H2,1,4-8H3/b15-14+,17-16+/t24-,28+,30+,31+,33+,34-,35-,36-/m1/s1 |
| InChIKey | MTAOKZKJEVCMNW-SKHZLMGXSA-N |
| Literature Reference Author | M.R.KHAN,A.I.GRAY,D.R.REED,I.H.SADLER,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,29,1609(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80131-Y |
| Molecular Weight | 626.788 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU32077 |