| SpectraBase Compound ID | 9aqL8eCDuKo |
|---|---|
| InChI | InChI=1S/C32H54O6/c1-20-10-13-26-30(7,17-14-24(34)28(3,4)37-26)22(20)11-12-23-31(8)18-15-25(35)29(5,6)38-27(31)16-19-32(23,9)36-21(2)33/h22-27,34-35H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26+,27+,30+,31+,32-/m1/s1 |
| InChIKey | PTUPTCJCPUOIKT-QMKGPMEVSA-N |
| Mol Weight | 534.8 g/mol |
| Molecular Formula | C32H54O6 |
| Exact Mass | 534.392039 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CuQNXDylrl5 |
|---|---|
| Name | 21-Deacetyl-raspacionin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.392039453 u |
| Formula | C32H54O6 |
| InChI | InChI=1S/C32H54O6/c1-20-10-13-26-30(7,17-14-24(34)28(3,4)37-26)22(20)11-12-23-31(8)18-15-25(35)29(5,6)38-27(31)16-19-32(23,9)36-21(2)33/h22-27,34-35H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26+,27+,30+,31+,32-/m1/s1 |
| InChIKey | PTUPTCJCPUOIKT-QMKGPMEVSA-N |
| Molecular Weight | 534.778 g/mol |
| SMILES | [C@@]12([C@@]([C@@](OC(=O)C)(C)CC[C@@]1(OC(C)(C)[C@](CC2)(O)[H])[H])(CC[C@]1([C@]2([C@](OC(C)(C)[C@](CC2)(O)[H])([H])CCC1=C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849705 |