| SpectraBase Compound ID | Hd9raq5B0ha |
|---|---|
| InChI | InChI=1S/C23H32O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h5,11,15-17,19-20,24H,3-4,6-10,12-13H2,1-2H3/t15-,16-,17-,19-,20-,22-,23+/m0/s1 |
| InChIKey | PAWKSRKCDBYTMO-BNCGVFPVSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6b2WYrqd7k5 |
|---|---|
| Name | 3Beta-hydroxy-5alpha,14ALPHA-carda(16,20)-dienolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.235144887 u |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h5,11,15-17,19-20,24H,3-4,6-10,12-13H2,1-2H3/t15-,16-,17-,19-,20-,22-,23+/m0/s1 |
| InChIKey | PAWKSRKCDBYTMO-BNCGVFPVSA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | C1C[C@]2([C@](C[C@]1(O)[H])(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2C1=CC(OC1)=O)[H])C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877176 |