| SpectraBase Compound ID | H09YD57aIxE |
|---|---|
| InChI | InChI=1S/C39H56O2/c1-34(2)20-21-36(5)22-24-38(7)30-17-15-28-29(37(30,6)23-25-39(38,8)31(36)26-34)16-18-32(35(28,3)4)41-33(40)19-14-27-12-10-9-11-13-27/h9-15,19,29-32H,16-18,20-26H2,1-8H3/b19-14+/t29?,30?,31?,32-,36+,37-,38+,39-/m0/s1 |
| InChIKey | LLHNYOVVRLGLTD-NCYAHFHWSA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C39H56O2 |
| Exact Mass | 556.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1OSJU7MNn6 |
|---|---|
| Name | O-(trans)-cinnamoylglutinol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H56O2 |
| InChI | InChI=1S/C39H56O2/c1-34(2)20-21-36(5)22-24-38(7)30-17-15-28-29(37(30,6)23-25-39(38,8)31(36)26-34)16-18-32(35(28,3)4)41-33(40)19-14-27-12-10-9-11-13-27/h9-15,19,29-32H,16-18,20-26H2,1-8H3/b19-14+/t29?,30?,31?,32-,36+,37-,38+,39-/m0/s1 |
| InChIKey | LLHNYOVVRLGLTD-NCYAHFHWSA-N |
| Molecular Weight | 556.875 g/mol |
| SMILES | [C@@]12([C@](C3CC(C)(C)CC[C@@]3(CC2)C)(CC[C@@]2(C1CC=C1C([C@@](OC(\C=C\c3ccccc3)=O)(CCC21)[H])(C)C)C)C)C |
| SPLASH | splash10-0ab9-0291300000-6230b6006071b87d8341 |
| Source of Spectrum | G4-71-1831-1 |
| Wiley ID | 1695136 |