| SpectraBase Compound ID | C7hFMxIU38l |
|---|---|
| InChI | InChI=1S/C34H56O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-25,27-28,37H,11-20H2,1-10H3/t23-,24-,25-,27-,28-,31-,32-,33+,34-/m0/s1 |
| InChIKey | NISUKSVJWOFHFT-MUGLUAMSSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C34H56O8 |
| Exact Mass | 592.397519 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GvETME8dt9v |
|---|---|
| Name | 21-Deacetyl-10-acetoxy-4-oxo-28-hydro-raspacionin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 592.397518755 u |
| Formula | C34H56O8 |
| InChI | InChI=1S/C34H56O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-25,27-28,37H,11-20H2,1-10H3/t23-,24-,25-,27-,28-,31-,32-,33+,34-/m0/s1 |
| InChIKey | NISUKSVJWOFHFT-MUGLUAMSSA-N |
| Molecular Weight | 592.814 g/mol |
| SMILES | [C@@]12([C@@]([C@](OC(=O)C)(C)CC[C@@]1(OC(C)(C)C(CC2)=O)[H])(CC[C@]1([C@]2([C@](OC(C)(C)[C@](CC2)(O)[H])([H])CC[C@]1(OC(=O)C)C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983584 |