| SpectraBase Compound ID | 1ZfyEaLbxwE |
|---|---|
| InChI | InChI=1S/C26H46O7/c1-7-24(4,33-22-21(30)20(29)19(28)16(2)32-22)13-9-18-25(5)12-8-11-23(3,15-27)17(25)10-14-26(18,6)31/h7,16-22,27-31H,1,8-15H2,2-6H3/t16-,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+/m0/s1 |
| InChIKey | YWTWSEHHNNPIGL-DJJMZITFSA-N |
| Mol Weight | 470.6 g/mol |
| Molecular Formula | C26H46O7 |
| Exact Mass | 470.324354 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I6iEI5CPGOG |
|---|---|
| Name | ent-14-Labden-8.beta.,19-diol 13.alpha.-O-.alpha.-L-rhamnopyranoside |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H46O7 |
| InChI | InChI=1S/C26H46O7/c1-7-24(4,33-22-21(30)20(29)19(28)16(2)32-22)13-9-18-25(5)12-8-11-23(3,15-27)17(25)10-14-26(18,6)31/h7,16-22,27-31H,1,8-15H2,2-6H3/t16-,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+/m0/s1 |
| InChIKey | YWTWSEHHNNPIGL-DJJMZITFSA-N |
| Instrument Name | JEOL JMS AX-500 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070119m |
| Molecular Weight | 470.647 g/mol |
| Optical Rotation | [a]D20 = -81.7 (c = 1.00, MeOH) |
| SMILES | O[C@]1([C@@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(C)[H])(O[C@](CC[C@]1([C@@]2(CCC[C@@]([C@]2(CC[C@]1(O)C)[H])(C)CO)C)[H])(C=C)C)[H])[H] |
| SPLASH | splash10-001i-9003100000-4427a1820b4ee78eb668 |
| Source of Spectrum | G4-70-1844-1g |
| Wiley ID | 1874356 |