![Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.)-](/api/spectrum/7Hg1OczUOo/structure.png?h=300&w=458 "Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.)-")
| SpectraBase Compound ID | 78uaRIqvf8 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(17-28)22-9-10-23-21-8-7-19-16-20(30-25-6-4-5-15-29-25)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,18,20-25,28H,4-6,8-17H2,1-3H3 |
| InChIKey | BUGXYDVAMJTSFE-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Hg1OczUOo |
|---|---|
| Name | Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3.beta.)- |
| CAS Registry Number | 55123-76-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(17-28)22-9-10-23-21-8-7-19-16-20(30-25-6-4-5-15-29-25)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,18,20-25,28H,4-6,8-17H2,1-3H3 |
| InChIKey | BUGXYDVAMJTSFE-UHFFFAOYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OCC(C1C2(C(C3C(C4(C)C(=CC3)CC(CC4)OC3CCCCO3)CC2)CC1)C)C |
| SPLASH | splash10-000i-9103000000-0a2defcedd132fb6d814 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 2-(10,13-dimethyl-3-tetrahydropyran-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propan-1-ol 2-[10,13-dimethyl-3-(2-oxanyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-propanol 2-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-ol |
| Wiley ID | 1376579 |