| SpectraBase Compound ID | KkNOIs8kd0o |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20?,21?,22-,23-,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | ZZTYPLSBNNGEIS-APFGESINSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2M0GvOi9M8m |
|---|---|
| Name | 3-(epi)-Pomolic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20?,21?,22-,23-,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | ZZTYPLSBNNGEIS-APFGESINSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C(CC[C@]3([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CC[C@]([C@]5(O)C)(C)[H])[H])=CCC23)C)C)C1(C)C)C)[H] |
| SPLASH | splash10-0002-0931300000-f39119cb91158f6f8169 |
| Source of Spectrum | X2-51-997-1 |
| Wiley ID | 1602867 |