![Pregna-16,20-dien-15-ol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.,5.beta.)-](/api/spectrum/FmGLaHsIRa8/structure.png?h=300&w=458 "Pregna-16,20-dien-15-ol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.,5.beta.)-")
| SpectraBase Compound ID | GJNus7b6Sl0 |
|---|---|
| InChI | InChI=1S/C26H40O3/c1-4-17-16-22(27)24-20-9-8-18-15-19(29-23-7-5-6-14-28-23)10-12-25(18,2)21(20)11-13-26(17,24)3/h4,16,18-24,27H,1,5-15H2,2-3H3/t18-,19+,20-,21+,22?,23?,24-,25+,26-/m1/s1 |
| InChIKey | LCHHRPBXAOJAMS-DKTVFFDFSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C26H40O3 |
| Exact Mass | 400.297745 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FmGLaHsIRa8 |
|---|---|
| Name | Pregna-16,20-dien-15-ol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.,5.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.297745145 u |
| Formula | C26H40O3 |
| InChI | InChI=1S/C26H40O3/c1-4-17-16-22(27)24-20-9-8-18-15-19(29-23-7-5-6-14-28-23)10-12-25(18,2)21(20)11-13-26(17,24)3/h4,16,18-24,27H,1,5-15H2,2-3H3/t18-,19+,20-,21+,22?,23?,24-,25+,26-/m1/s1 |
| InChIKey | LCHHRPBXAOJAMS-DKTVFFDFSA-N |
| Molecular Weight | 400.603 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC2OCCCC2)(C4)[H])C)[H])[H])(C(O)C=C1C=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932219 |