| SpectraBase Compound ID | gerPFUSgFh |
|---|---|
| InChI | InChI=1S/C26H40O7/c1-14(27)30-17-13-19-25(6)11-8-10-24(4,5)18(25)9-12-26(19,7)21-20(17)22(31-15(2)28)33-23(21)32-16(3)29/h17-23H,8-13H2,1-7H3/t17-,18?,19?,20-,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | IBLOMGVQDRSARZ-ARVIJSBYSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C26H40O7 |
| Exact Mass | 464.277404 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6w9BQdYhIBU |
|---|---|
| Name | 12-epi-Aplysillin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.277403621 u |
| Formula | C26H40O7 |
| InChI | InChI=1S/C26H40O7/c1-14(27)30-17-13-19-25(6)11-8-10-24(4,5)18(25)9-12-26(19,7)21-20(17)22(31-15(2)28)33-23(21)32-16(3)29/h17-23H,8-13H2,1-7H3/t17-,18?,19?,20-,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | IBLOMGVQDRSARZ-ARVIJSBYSA-N |
| Molecular Weight | 464.599 g/mol |
| SMILES | [C@]1(O[C@]([C@@]2([C@@](CC3[C@]([C@]12[H])(CCC1C(CCC[C@]31C)(C)C)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947541 |