| SpectraBase Compound ID | he42YTAi42 |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25-26,32H,9-10,13-19H2,1-8H3/b21-11-/t20-,22-,23-,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | IEGXLGUOYQNQKL-MXYROBCWSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le0r7NePRdr |
|---|---|
| Name | METHYL-3-ALPHA-HYDROXY-TIRUCALLA-(7,24Z)-DIEN-27-OATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25-26,32H,9-10,13-19H2,1-8H3/b21-11-/t20-,22-,23-,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | IEGXLGUOYQNQKL-MXYROBCWSA-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 | 470.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR14434 |