| SpectraBase Compound ID | 6iXahcAEWWD |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11-,13-,14-,15+,16-,17+,19+,20+/m1/s1 |
| InChIKey | LOUSOANLLAIPSC-KTNXLDEBSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jlt3eBeTGuv |
|---|---|
| Name | Retusolide_F;3,4,18-beta-cyclopropa-12-beta-hydroxy-ent-abiet-7-en-16,14-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11-,13-,14-,15+,16-,17+,19+,20+/m1/s1 |
| InChIKey | LOUSOANLLAIPSC-KTNXLDEBSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@]1(O)(C[C@@]2(C(=CC[C@@]3([C@@]4([C@](CC[C@@]23C)(C4)[H])C)[H])[C@]2([C@@]1(C(C(=O)O2)C)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900837 |