| SpectraBase Compound ID | 7xzZuLY7YSR |
|---|---|
| InChI | InChI=1S/C26H42O8/c1-24(2)10-15(28)11-26(4)16-7-8-25(3,9-14(16)5-6-18(24)26)19(29)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h9,16-23,27,29-32H,5-8,10-13H2,1-4H3/t16-,17-,18-,19?,20-,21+,22-,23-,25+,26+/m1/s1 |
| InChIKey | DIPRMKAQCVMIER-KCYBXONRSA-N |
| Mol Weight | 482.6 g/mol |
| Molecular Formula | C26H42O8 |
| Exact Mass | 482.287968 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3QIxEkfQrg |
|---|---|
| Name | ent-2-oxo-15,16-dihydroxypimar-8(14)-en-16-O-.beta.-glucopyranoside |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O8 |
| InChI | InChI=1S/C26H42O8/c1-24(2)10-15(28)11-26(4)16-7-8-25(3,9-14(16)5-6-18(24)26)19(29)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h9,16-23,27,29-32H,5-8,10-13H2,1-4H3/t16-,17-,18-,19?,20-,21+,22-,23-,25+,26+/m1/s1 |
| InChIKey | DIPRMKAQCVMIER-KCYBXONRSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400407 |
| Molecular Weight | 482.614 g/mol |
| Optical Rotation | [a]D20 = -51.7 (c = 1.58, MeOH) |
| Reported Formula | C26H42O8 |
| SMILES | O[C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(O)[H])(CO)[H])(OCC([C@]1(CC[C@@]2(C(CC[C@]3([C@]2(CC(CC3(C)C)=O)C)[H])=C1)[H])C)O)[H])[H] |
| SPLASH | splash10-0bt9-0190000000-23f8ba55c7b505def0ba |
| Source of Spectrum | G4-67-1520-5 |
| Wiley ID | 1881886 |