| SpectraBase Compound ID | B6mL97Nd2hV |
|---|---|
| InChI | InChI=1S/C35H38O4/c1-24-12-11-17-31-34(24,3)21-20-25(2)35(31,4)23-28-22-29(38-32(36)26-13-7-5-8-14-26)18-19-30(28)39-33(37)27-15-9-6-10-16-27/h5-10,12-16,18-19,22,25,31H,11,17,20-21,23H2,1-4H3/t25-,31+,34+,35+/m0/s1 |
| InChIKey | OTFAUWRSSXTJPF-HUQKPPMYSA-N |
| Mol Weight | 522.7 g/mol |
| Molecular Formula | C35H38O4 |
| Exact Mass | 522.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4CZsPbwzJI |
|---|---|
| Name | Dibenzoyl avarol |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H38O4 |
| InChI | InChI=1S/C35H38O4/c1-24-12-11-17-31-34(24,3)21-20-25(2)35(31,4)23-28-22-29(38-32(36)26-13-7-5-8-14-26)18-19-30(28)39-33(37)27-15-9-6-10-16-27/h5-10,12-16,18-19,22,25,31H,11,17,20-21,23H2,1-4H3/t25-,31+,34+,35+/m0/s1 |
| InChIKey | OTFAUWRSSXTJPF-HUQKPPMYSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 522.685 g/mol |
| Optical Rotation | [a]D25 = +7.4 (c = 0.13, CHCl3) |
| Reported Formula | C35H38O4 |
| SMILES | C1C[C@@]2([C@@](C(=C1)C)(CC[C@@]([C@]2(Cc1c(ccc(c1)OC(c1ccccc1)=O)OC(c1ccccc1)=O)C)(C)[H])C)[H] |
| SPLASH | splash10-052f-0901000000-1d587829f071dbfe5e8d |
| Source of Spectrum | G4-67-1461-3 |
| Wiley ID | 1884066 |