| SpectraBase Compound ID | HNChVAtOJyq |
|---|---|
| InChI | InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-/t19-,23?,32+,33-/m1/s1 |
| InChIKey | UWZMGTSPGQXAAP-BQHKZEEUSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C33H38O7 |
| Exact Mass | 546.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DG8LyxsYDA1 |
|---|---|
| Name | isomorellinol |
| Appearance | Orange powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H38O7 |
| InChI | InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-/t19-,23?,32+,33-/m1/s1 |
| InChIKey | UWZMGTSPGQXAAP-BQHKZEEUSA-N |
| Ionization Type | EI |
| Molecular Weight | 546.660 g/mol |
| SMILES | OC\C(=C/C[C@]12[C@]34C(C(c5c(c(c6c(c5O)C=CC(O6)(C)C)CC=C(C)C)O3)=O)=C[C@@](C2=O)(CC4C(O1)(C)C)[H])C |
| SPLASH | splash10-0002-0022290000-a23cc98a5262f3286b00 |
| Source of Spectrum | CN103421021A |
| Wiley ID | 1852316 |