| SpectraBase Compound ID | B8RyzeBrnxV |
|---|---|
| InChI | InChI=1S/C38H58O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,16-17,22,24-26,28-33,39H,8-9,12-15,18-21,23H2,1-7H3/b17-11+/t25-,26-,28?,29?,30?,31-,32?,33?,37+,38-/m1/s1 |
| InChIKey | NLHPCZDTMWKEFC-CFJHDCJASA-N |
| Mol Weight | 578.9 g/mol |
| Molecular Formula | C38H58O4 |
| Exact Mass | 578.43351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C18Ir8SUYrk |
|---|---|
| Name | Campestanyl ferulate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H58O4 |
| InChI | InChI=1S/C38H58O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,16-17,22,24-26,28-33,39H,8-9,12-15,18-21,23H2,1-7H3/b17-11+/t25-,26-,28?,29?,30?,31-,32?,33?,37+,38-/m1/s1 |
| InChIKey | NLHPCZDTMWKEFC-CFJHDCJASA-N |
| Molecular Weight | 578.878 g/mol |
| SMILES | Oc1ccc(cc1OC)\C=C\C(OC1CC[C@@]2(C3CC[C@]4(C(C3CCC2C1)CC[C@@]4([C@@](CC[C@](C(C)C)(C)[H])(C)[H])[H])C)C)=O |
| SPLASH | splash10-0006-2911010000-8d4443f9a1afa52f6707 |
| Source of Spectrum | JC-440-29-0 |
| Wiley ID | 1408397 |