| SpectraBase Compound ID | 43OKruibnld |
|---|---|
| InChI | InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11+/t28-,29+,30-,31+,32+,34+,36+,37-,38+,39+/m0/s1 |
| InChIKey | LUJLGKGMUFEQQU-JGXWBNGCSA-N |
| Mol Weight | 572.9 g/mol |
| Molecular Formula | C39H56O3 |
| Exact Mass | 572.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvbBTQkdxHR |
|---|---|
| Name | 3-ALPHA-E-COUMAROYLLUPEOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O3 |
| InChI | InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11+/t28-,29+,30-,31+,32+,34+,36+,37-,38+,39+/m0/s1 |
| InChIKey | LUJLGKGMUFEQQU-JGXWBNGCSA-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 | 572.872 g/mol |
| Sample ID | 28969 |
| Solvent | CDCl3 |