![(7R,8R,8as)-8-(Benzyloxy)-7-hydroxy-6(Z)-[(6R,7R)-6,7-dihydroxy-2(R),5-dimethyl-4(E)-octenylidene]-8-methyloctahydroindolizine](/api/spectrum/3c3ckCz5vW/structure.png?h=300&w=458 "(7R,8R,8as)-8-(Benzyloxy)-7-hydroxy-6(Z)-[(6R,7R)-6,7-dihydroxy-2(R),5-dimethyl-4(E)-octenylidene]-8-methyloctahydroindolizine")
| SpectraBase Compound ID | DshoIjNhTan |
|---|---|
| InChI | InChI=1S/C26H39NO4/c1-18(12-13-19(2)24(29)20(3)28)15-22-16-27-14-8-11-23(27)26(4,25(22)30)31-17-21-9-6-5-7-10-21/h5-7,9-10,13,15,18,20,23-25,28-30H,8,11-12,14,16-17H2,1-4H3/b19-13+,22-15-/t18-,20-,23+,24-,25-,26-/m1/s1 |
| InChIKey | UAIJKMYJLPFOBB-NEILSFLTSA-N |
| Mol Weight | 429.6 g/mol |
| Molecular Formula | C26H39NO4 |
| Exact Mass | 429.287909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3c3ckCz5vW |
|---|---|
| Name | (7R,8R,8as)-8-(Benzyloxy)-7-hydroxy-6(Z)-[(6R,7R)-6,7-dihydroxy-2(R),5-dimethyl-4(E)-octenylidene]-8-methyloctahydroindolizine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.287908736 u |
| Formula | C26H39NO4 |
| InChI | InChI=1S/C26H39NO4/c1-18(12-13-19(2)24(29)20(3)28)15-22-16-27-14-8-11-23(27)26(4,25(22)30)31-17-21-9-6-5-7-10-21/h5-7,9-10,13,15,18,20,23-25,28-30H,8,11-12,14,16-17H2,1-4H3/b19-13+,22-15-/t18-,20-,23+,24-,25-,26-/m1/s1 |
| InChIKey | UAIJKMYJLPFOBB-NEILSFLTSA-N |
| Molecular Weight | 429.601 g/mol |
| SMILES | [C@]1([C@@](\C(=C/[C@@](C\C=C\([C@]([C@](O)(C)[H])(O)[H])C)(C)[H])CN2[C@]1(CCC2)[H])(O)[H])(OCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895913 |