| SpectraBase Compound ID | Cl6n7TG2r4t |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-16(15-26)17-9-13-25(6)19-7-8-20-22(2,3)21(27)11-12-23(20,4)18(19)10-14-24(17,25)5/h7,10,16-17,20-21,26-27H,8-9,11-15H2,1-6H3/t16-,17-,20+,21+,23-,24-,25+/m1/s1 |
| InChIKey | ORCLDYDMFAGPDD-JILLZZLSSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E6AdtGqE4qq |
|---|---|
| Name | (20)S-Hydroxymethyl-4,4,14-alpha-trimethylpregna-7,9(11)-dien-3-beta-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.302830526 u |
| Formula | C25H40O2 |
| InChI | InChI=1S/C25H40O2/c1-16(15-26)17-9-13-25(6)19-7-8-20-22(2,3)21(27)11-12-23(20,4)18(19)10-14-24(17,25)5/h7,10,16-17,20-21,26-27H,8-9,11-15H2,1-6H3/t16-,17-,20+,21+,23-,24-,25+/m1/s1 |
| InChIKey | ORCLDYDMFAGPDD-JILLZZLSSA-N |
| Molecular Weight | 372.593 g/mol |
| SMILES | [C@]1(O)(C([C@]2([C@@](C=3C([C@]4([C@@]([C@@]([C@@](CO)(C)[H])(CC4)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909879 |