| SpectraBase Compound ID | DZoEY7Q3a1V |
|---|---|
| InChI | InChI=1S/C26H42O9/c1-24(2)17-6-5-13-9-25(3,18(30)12-28)8-7-14(13)26(17,4)10-15(29)22(24)35-23-21(33)20(32)19(31)16(11-27)34-23/h9,14,16-23,27-28,30-33H,5-8,10-12H2,1-4H3/t14-,16-,17-,18?,19-,20+,21-,22+,23+,25+,26+/m1/s1 |
| InChIKey | QPKNHKFLHORCJA-LMFQQWALSA-N |
| Mol Weight | 498.6 g/mol |
| Molecular Formula | C26H42O9 |
| Exact Mass | 498.282883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B40vqO5KlbU |
|---|---|
| Name | ent-2-oxo-3.beta.,15,16-trihydroxypimar-8(14)-en-3-O-.beta.-glucopyranoside |
| Appearance | Pale gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O9 |
| InChI | InChI=1S/C26H42O9/c1-24(2)17-6-5-13-9-25(3,18(30)12-28)8-7-14(13)26(17,4)10-15(29)22(24)35-23-21(33)20(32)19(31)16(11-27)34-23/h9,14,16-23,27-28,30-33H,5-8,10-12H2,1-4H3/t14-,16-,17-,18?,19-,20+,21-,22+,23+,25+,26+/m1/s1 |
| InChIKey | QPKNHKFLHORCJA-LMFQQWALSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400407 |
| Molecular Weight | 498.613 g/mol |
| Optical Rotation | [a]D20 = -22.2 (c = 1.35, MeOH) |
| Reported Formula | C26H42O9 |
| SMILES | O[C@]1([C@@](O[C@](CO)([C@]([C@@]1(O)[H])(O)[H])[H])(O[C@@]1(C([C@@]2([C@@](CC1=O)([C@]1(C(CC2)=C[C@](CC1)(C(CO)O)C)[H])C)[H])(C)C)[H])[H])[H] |
| SPLASH | splash10-004i-0690000000-7d2f41710e116529d582 |
| Source of Spectrum | G4-67-1521-7 |
| Wiley ID | 1881888 |