| SpectraBase Compound ID | 7HutOAkMSpl |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-17(2)12-6-8-18(3)13(20(12,5)15(22)10-14(17)21)7-9-19(4,24-18)16-11-23-16/h12-13,15-16,22H,6-11H2,1-5H3/t12?,13?,15-,16-,18-,19+,20+/m0/s1 |
| InChIKey | PROOKXBVCBGKAX-NPFOPVCYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 641gqUfVi6B |
|---|---|
| Name | 1-.alpha.-Hydroxy-3-oxo-14S,15-epoxy-ent-13-epi-manoyl oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-17(2)12-6-8-18(3)13(20(12,5)15(22)10-14(17)21)7-9-19(4,24-18)16-11-23-16/h12-13,15-16,22H,6-11H2,1-5H3/t12?,13?,15-,16-,18-,19+,20+/m0/s1 |
| InChIKey | PROOKXBVCBGKAX-NPFOPVCYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | [C@]12(C(C(C)(C)C(C[C@@]2(O)[H])=O)CC[C@]2(C1CC[C@@]([C@]1(OC1)[H])(C)O2)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827418 |