| SpectraBase Compound ID | 3L55838LvdB |
|---|---|
| InChI | InChI=1S/C32H42O5/c1-19(24-13-12-21(3)29(35)37-24)10-9-11-20(2)28-23(34)18-26-31(7)17-15-27(36-22(4)33)30(5,6)25(31)14-16-32(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,19-10+,28-20-/t25-,26-,27-,31-,32-/m0/s1 |
| InChIKey | FXUTZQWZMMBKRZ-GGFYILIVSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C32H42O5 |
| Exact Mass | 506.303224 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gc3WDdmukME |
|---|---|
| Name | Stellettin-C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.303224447 u |
| Formula | C32H42O5 |
| InChI | InChI=1S/C32H42O5/c1-19(24-13-12-21(3)29(35)37-24)10-9-11-20(2)28-23(34)18-26-31(7)17-15-27(36-22(4)33)30(5,6)25(31)14-16-32(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,19-10+,28-20-/t25-,26-,27-,31-,32-/m0/s1 |
| InChIKey | FXUTZQWZMMBKRZ-GGFYILIVSA-N |
| Molecular Weight | 506.683 g/mol |
| SMILES | C=1(OC(C(=CC1)C)=O)\C(=C\C=C\C(=C/1[C@@]2([C@]([C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(OC(=O)C)[H])C)(CC1=O)[H])C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940057 |