| SpectraBase Compound ID | EVEO4xEJHMN |
|---|---|
| InChI | InChI=1S/C32H34O8/c1-18-14-21-15-23(34-3)29(35-4)31(36-5)26(21)27-22(16-24-30(32(27)37-6)39-17-38-24)28(19(18)2)40-25(33)13-12-20-10-8-7-9-11-20/h7-13,15-16,18-19,28H,14,17H2,1-6H3/b13-12+/t18-,19-,28-/m1/s1 |
| InChIKey | QWIXWIQRZHRKNQ-OFJKUSFOSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C32H34O8 |
| Exact Mass | 546.225368 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I5VHcSTEXBZ |
|---|---|
| Name | Kadsuphilin_A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.225368047 u |
| Formula | C32H34O8 |
| InChI | InChI=1S/C32H34O8/c1-18-14-21-15-23(34-3)29(35-4)31(36-5)26(21)27-22(16-24-30(32(27)37-6)39-17-38-24)28(19(18)2)40-25(33)13-12-20-10-8-7-9-11-20/h7-13,15-16,18-19,28H,14,17H2,1-6H3/b13-12+/t18-,19-,28-/m1/s1 |
| InChIKey | QWIXWIQRZHRKNQ-OFJKUSFOSA-N |
| Molecular Weight | 546.616 g/mol |
| SMILES | COC1=C(OC)C(OC)=CC=2C[C@@](C)([C@@](C)([C@@](OC(=O)\C=C\C3=CC=CC=C3)(C3=CC4=C(C(OC)=C3C12)OCO4)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885977 |