| SpectraBase Compound ID | DZK3dgbcj0y |
|---|---|
| InChI | InChI=1S/C39H56O4/c1-34(2)21-22-36(5)17-13-29-38(7)18-14-28-35(3,4)32(43-33(42)12-10-25-9-11-26(40)27(41)23-25)16-20-37(28,6)30(38)15-19-39(29,8)31(36)24-34/h9-13,23,28,30-32,40-41H,14-22,24H2,1-8H3/b12-10+/t28-,30+,31-,32+,36-,37-,38-,39+/m0/s1 |
| InChIKey | YOFAJHKDASWQBG-SIOCZOEXSA-N |
| Mol Weight | 588.9 g/mol |
| Molecular Formula | C39H56O4 |
| Exact Mass | 588.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrX8nIeTBHs |
|---|---|
| Name | 3-ALPHA-E-CAFFEOYLTARAXEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O4 |
| InChI | InChI=1S/C39H56O4/c1-34(2)21-22-36(5)17-13-29-38(7)18-14-28-35(3,4)32(43-33(42)12-10-25-9-11-26(40)27(41)23-25)16-20-37(28,6)30(38)15-19-39(29,8)31(36)24-34/h9-13,23,28,30-32,40-41H,14-22,24H2,1-8H3/b12-10+/t28-,30+,31-,32+,36-,37-,38-,39+/m0/s1 |
| InChIKey | YOFAJHKDASWQBG-SIOCZOEXSA-N |
| Literature Reference Author | C.KARALAI,S.LAPHOOKHIEO |
| Literature Reference Citation | AUSTR.J.CHEM.,58,556(2005) |
| Literature Reference DOI | 10.1071/CH05010 |
| Molecular Weight | 588.871 g/mol |
| Sample ID | 28972 |
| Solvent | CDCl3 |