| SpectraBase Compound ID | KA16oSrvOok |
|---|---|
| InChI | InChI=1S/C26H46O7/c1-7-24(4,33-22-21(30)20(29)19(28)16(15-27)32-22)13-9-18-25(5)12-8-11-23(2,3)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+,24+,25-,26-/m1/s1 |
| InChIKey | YMTHEQVUAPPTJS-NMZHYCMMSA-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 | Lw39ZGZGPdf |
|---|---|
| Name | ent-14-Labden-8.beta.-ol 13.alpha.-O-.beta.-D-glucopyranoside |
| Appearance | Amorphous 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(15-27)32-22)13-9-18-25(5)12-8-11-23(2,3)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+,24+,25-,26-/m1/s1 |
| InChIKey | YMTHEQVUAPPTJS-NMZHYCMMSA-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]D22 = -29.7 (c = 1.00, MeOH) |
| SMILES | O[C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(O)[H])(CO)[H])(O[C@](CC[C@]1([C@@]2(CCCC([C@]2(CC[C@]1(O)C)[H])(C)C)C)[H])(C=C)C)[H])[H] |
| SPLASH | splash10-000x-9740000000-48c7f98a8c7c2b600642 |
| Source of Spectrum | G4-70-1843-1b |
| Wiley ID | 1874355 |