| SpectraBase Compound ID | IzvdUgeOGfF |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-22(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h12,20-21,23-24,26-27H,9-11,13-19H2,1-8H3,(H,34,35)/t20-,21?,23-,24-,26-,27?,30+,31-,32+/m0/s1 |
| InChIKey | KNNIARXJLRHWGZ-OJSFCGDESA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETNvQUZadZR |
|---|---|
| Name | 3-XI-ACETOXY-TIRUCALL-7-EN-27-OIC-ACID |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-22(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h12,20-21,23-24,26-27H,9-11,13-19H2,1-8H3,(H,34,35)/t20-,21?,23-,24-,26-,27?,30+,31-,32+/m0/s1 |
| InChIKey | KNNIARXJLRHWGZ-OJSFCGDESA-N |
| Literature Reference Author | R.R.MORAIS,T.A.D.COSTA-SILVA,A.G.TEMPONE,S.E.T.BORBOREMA,M.T .SCOTTI,R.M.F.D.SOUS |
| Literature Reference Citation | MOLECULES,19,5761(2014) |
| Literature Reference DOI | 10.3390/molecules19055761 |
| Molecular Weight | 500.762 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR14432 |