![14-Oxapentacyclo[20.2.2.2(10,13).1(15,19).0(2,7)]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-4,5,6,16,24-pentol](/api/spectrum/8YRHRPx150s/structure.png?h=300&w=458 "14-Oxapentacyclo[20.2.2.2(10,13).1(15,19).0(2,7)]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-4,5,6,16,24-pentol")
| SpectraBase Compound ID | EBLd6DcSgwX |
|---|---|
| InChI | InChI=1S/C28H24O6/c29-23-12-7-18-2-1-17-6-10-20(24(30)13-17)22-15-25(31)28(33)27(32)21(22)11-5-16-3-8-19(9-4-16)34-26(23)14-18/h3-4,6-10,12-15,29-33H,1-2,5,11H2 |
| InChIKey | AYGCMIYNPVCTJE-UHFFFAOYSA-N |
| Mol Weight | 456.49 g/mol |
| Molecular Formula | C28H24O6 |
| Exact Mass | 456.157288 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8YRHRPx150s |
|---|---|
| Name | 14-Oxapentacyclo[20.2.2.2(10,13).1(15,19).0(2,7)]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-4,5,6,16,24-pentol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.157288487 u |
| Formula | C28H24O6 |
| InChI | InChI=1S/C28H24O6/c29-23-12-7-18-2-1-17-6-10-20(24(30)13-17)22-15-25(31)28(33)27(32)21(22)11-5-16-3-8-19(9-4-16)34-26(23)14-18/h3-4,6-10,12-15,29-33H,1-2,5,11H2 |
| InChIKey | AYGCMIYNPVCTJE-UHFFFAOYSA-N |
| Molecular Weight | 456.494 g/mol |
| SMILES | C1(=C(C(=CC2=C1CCC1=CC=C(C=C1)OC1=CC(=CC=C1O)CCC=1C=C(C2=CC1)O)O)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924429 |