| SpectraBase Compound ID | AnYxr5HAXKU |
|---|---|
| InChI | InChI=1S/C34H54O4/c1-21-11-15-27-31(5,6)29(37-23(3)35)17-19-33(27,9)25(21)13-14-26-22(2)12-16-28-32(7,8)30(38-24(4)36)18-20-34(26,28)10/h25-30H,1-2,11-20H2,3-10H3/t25-,26-,27-,28-,29-,30-,33+,34+/m0/s1 |
| InChIKey | JLJPBXMYIMNQDP-JKCFVQEBSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C34H54O4 |
| Exact Mass | 526.40221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FnNFapWUDKp |
|---|---|
| Name | Onocerin, diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 526.402210215 u |
| Formula | C34H54O4 |
| InChI | InChI=1S/C34H54O4/c1-21-11-15-27-31(5,6)29(37-23(3)35)17-19-33(27,9)25(21)13-14-26-22(2)12-16-28-32(7,8)30(38-24(4)36)18-20-34(26,28)10/h25-30H,1-2,11-20H2,3-10H3/t25-,26-,27-,28-,29-,30-,33+,34+/m0/s1 |
| InChIKey | JLJPBXMYIMNQDP-JKCFVQEBSA-N |
| Molecular Weight | 526.802 g/mol |
| SMILES | C(C[C@]1(C(CC[C@]2(C([C@](CC[C@]12C)(OC(C)=O)[H])(C)C)[H])=C)[H])[C@]1(C(CC[C@]2(C([C@](CC[C@]12C)(OC(C)=O)[H])(C)C)[H])=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952961 |