| SpectraBase Compound ID | G6RCiXbraZz |
|---|---|
| InChI | InChI=1S/C24H34O6/c1-13(25)29-12-24(20(27)28)17-5-8-23-10-16-15(22(16,4)11-23)9-18(23)21(17,3)7-6-19(24)30-14(2)26/h15-19H,5-12H2,1-4H3,(H,27,28)/t15-,16+,17+,18+,19+,21-,22-,23-,24-/m1/s1 |
| InChIKey | LHKQQWKOWNPPSN-CTJKSKAISA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C24H34O6 |
| Exact Mass | 418.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | PaNYHgasS |
|---|---|
| Name | ent-3.beta.,18-Diacetoxy-19-trachylobanoic acid |
| Appearance | Yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H34O6 |
| InChI | InChI=1S/C24H34O6/c1-13(25)29-12-24(20(27)28)17-5-8-23-10-16-15(22(16,4)11-23)9-18(23)21(17,3)7-6-19(24)30-14(2)26/h15-19H,5-12H2,1-4H3,(H,27,28)/t15-,16+,17+,18+,19+,21-,22-,23-,24-/m1/s1 |
| InChIKey | LHKQQWKOWNPPSN-CTJKSKAISA-N |
| Instrument Name | Hewlett-Packard G1800A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900806j |
| Molecular Weight | 418.530 g/mol |
| Optical Rotation | [a]D20 = -14.3 (c = 8.03, CHCl3) |
| SMILES | OC([C@@]1([C@@]2([C@@](CC[C@@]1(OC(C)=O)[H])([C@]1([C@@]3(CC2)C[C@@]2([C@](C1)([C@@]2(C3)[H])[H])C)[H])C)[H])COC(C)=O)=O |
| SPLASH | splash10-0kbf-8902000000-f3dc5934517131b26a83 |
| Source of Spectrum | G4-73-663-12 |
| Wiley ID | 1872285 |