| SpectraBase Compound ID | 3gKxP914ccH |
|---|---|
| InChI | InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,14,19-20,22-25,37-38H,9-13,15-16H2,1-7H3/t19?,20-,22+,23-,24-,25+,29-,30+,31-/m0/s1 |
| InChIKey | CEODTLOUYCSAHV-WELRVZDBSA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C32H45F3O7 |
| Exact Mass | 598.311738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4juaO6mcTfF |
|---|---|
| Name | STACHYSTERONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE |
| Compound Number | VIII |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45F3O7 |
| InChI | InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,14,19-20,22-25,37-38H,9-13,15-16H2,1-7H3/t19?,20-,22+,23-,24-,25+,29-,30+,31-/m0/s1 |
| InChIKey | CEODTLOUYCSAHV-WELRVZDBSA-N |
| Literature Reference Author | V.N.ODINOKOV,I.V.GALYAUTDINOV,D.V.NEDOPEKIN,N.A.VESKINA,L.M. KHALILOV |
| Literature Reference Citation | RUSS.J.ORG.CHEM.,39,952(2003) |
| Literature Reference DOI | 10.1023/B:RUJO.0000003183.84168.79 |
| Molecular Weight | 598.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ21591 |