| SpectraBase Compound ID | 8IQSCjzLqYG |
|---|---|
| InChI | InChI=1S/C20H32O6/c1-7-18(4)10-12(21)15-19(5,11-14(22)23)13(17(2,3)16(24)25)8-9-20(15,6)26-18/h7,12-13,15,21H,1,8-11H2,2-6H3,(H,22,23)(H,24,25)/t12-,13?,15?,18-,19+,20-/m0/s1 |
| InChIKey | JRBIZYYWJGPNGZ-XVDGALCVSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C20H32O6 |
| Exact Mass | 368.219889 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | InDS0S3GlZY |
|---|---|
| Name | ent-11.alpha..-Hydroxy-2,3-seco-13-epi-manoyl oxide-2,3-dioic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.219888744 u |
| Formula | C20H32O6 |
| InChI | InChI=1S/C20H32O6/c1-7-18(4)10-12(21)15-19(5,11-14(22)23)13(17(2,3)16(24)25)8-9-20(15,6)26-18/h7,12-13,15,21H,1,8-11H2,2-6H3,(H,22,23)(H,24,25)/t12-,13?,15?,18-,19+,20-/m0/s1 |
| InChIKey | JRBIZYYWJGPNGZ-XVDGALCVSA-N |
| Molecular Weight | 368.470 g/mol |
| SMILES | [C@]1(C2[C@](O[C@](C[C@@]2(O)[H])(C=C)C)(C)CCC1C(C(=O)O)(C)C)(CC(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974773 |