| SpectraBase Compound ID | E6lQCgtTmOJ |
|---|---|
| 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- |
| InChIKey | MTAOKZKJEVCMNW-FZIQOSRTSA-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 | KIFjostkvMR |
|---|---|
| Name | Pitumbin acetate |
| Comments | BRUKER WM 400 OR SY 200 SPECTROMETER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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- |
| InChIKey | MTAOKZKJEVCMNW-FZIQOSRTSA-N |
| Instrument Name | see comment |
| Literature Reference | E. Guittet, V. Stoven, J-Y. Lallemand, Tetrahedron 44, 2893 (1988). |
| NMR Standard | Acetone-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |