![1,17-Methanocyclooctadeca[c]furan-19,20(3H)-dione, 3a,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-18-hydroxy-3,3,6,1 0,14-pentamethyl-](/api/spectrum/B90fl3OwKYr/structure.png?h=300&w=458 "1,17-Methanocyclooctadeca[c]furan-19,20(3H)-dione, 3a,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-18-hydroxy-3,3,6,1 0,14-pentamethyl-")
| SpectraBase Compound ID | CjhSIaC31TG |
|---|---|
| InChI | InChI=1S/C26H40O4/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21-20(15-13-18(3)11-7-9-16)26(4,5)30-25(21)23(19)28/h16-18,20,27H,6-15H2,1-5H3 |
| InChIKey | XBLYMIMQBVKMON-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C26H40O4 |
| Exact Mass | 416.29266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B90fl3OwKYr |
|---|---|
| Name | 1,17-Methanocyclooctadeca[C]furan-19,20(3H)-dione, 3A,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-18-hydroxy-3,3,6,1 0,14-pentamethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.292659764 u |
| Formula | C26H40O4 |
| InChI | InChI=1S/C26H40O4/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21-20(15-13-18(3)11-7-9-16)26(4,5)30-25(21)23(19)28/h16-18,20,27H,6-15H2,1-5H3 |
| InChIKey | XBLYMIMQBVKMON-UHFFFAOYSA-N |
| Molecular Weight | 416.602 g/mol |
| SMILES | C12=C3C(=O)C(=C(C2=O)O)CCC(CCCC(CCCC(CCC1C(C)(C)O3)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968014 |