| SpectraBase Compound ID | C9gJ8PbcBBU |
|---|---|
| InChI | InChI=1S/C23H30O4/c1-13(22(25)26)20-8-9-21-19-6-4-15-12-16(27-14(2)24)5-7-17(15)18(19)10-11-23(20,21)3/h4,6,13,16,20-21H,5,7-12H2,1-3H3,(H,25,26) |
| InChIKey | BZRRMUIFKSIQMY-UHFFFAOYSA-N |
| Mol Weight | 370.49 g/mol |
| Molecular Formula | C23H30O4 |
| Exact Mass | 370.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DUi3rNyjLFL |
|---|---|
| Name | 19-Norpregnan-3-ol-20-carboxylic acid acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.214409442 u |
| Formula | C23H30O4 |
| InChI | InChI=1S/C23H30O4/c1-13(22(25)26)20-8-9-21-19-6-4-15-12-16(27-14(2)24)5-7-17(15)18(19)10-11-23(20,21)3/h4,6,13,16,20-21H,5,7-12H2,1-3H3,(H,25,26) |
| InChIKey | BZRRMUIFKSIQMY-UHFFFAOYSA-N |
| Molecular Weight | 370.489 g/mol |
| SMILES | C1(CCC=2C(C1)=CC=C1C2CCC2(C1CCC2C(C)C(O)=O)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832203 |