| SpectraBase Compound ID | 2oJRzZiTpvD |
|---|---|
| InChI | InChI=1S/C26H44O9/c1-24(19(30)12-28)7-6-16-14(8-24)4-5-18-25(2,9-15(29)10-26(16,18)3)13-34-23-22(33)21(32)20(31)17(11-27)35-23/h8,15-23,27-33H,4-7,9-13H2,1-3H3/t15-,16-,17-,18-,19?,20-,21+,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | KDFGLKFLGVCSES-VKGWZTTLSA-N |
| Mol Weight | 500.6 g/mol |
| Molecular Formula | C26H44O9 |
| Exact Mass | 500.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1MVLbxiSJtB |
|---|---|
| Name | ent-2.beta.,15,16,19-tetrahydroxypimar-8(14)-en-19-O-.beta.-glucopyranoside |
| Appearance | Pale gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O9 |
| InChI | InChI=1S/C26H44O9/c1-24(19(30)12-28)7-6-16-14(8-24)4-5-18-25(2,9-15(29)10-26(16,18)3)13-34-23-22(33)21(32)20(31)17(11-27)35-23/h8,15-23,27-33H,4-7,9-13H2,1-3H3/t15-,16-,17-,18-,19?,20-,21+,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | KDFGLKFLGVCSES-VKGWZTTLSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400407 |
| Molecular Weight | 500.629 g/mol |
| Optical Rotation | [a]D20 = -35.9 (c = 1.32, MeOH) |
| Reported Formula | C26H44O9 |
| SMILES | O[C@]1([C@@](O[C@](CO)([C@]([C@@]1(O)[H])(O)[H])[H])(OC[C@]1([C@@]2([C@@](C[C@@](C1)(O)[H])([C@]1(C(CC2)=C[C@](CC1)(C(CO)O)C)[H])C)[H])C)[H])[H] |
| SPLASH | splash10-0ab9-0590000000-153332ed76cc6d158007 |
| Source of Spectrum | G4-67-1521-9 |
| Wiley ID | 1881889 |