| SpectraBase Compound ID | 908P0sHPrhX |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-16(30-24-6-4-5-13-29-24)20-9-10-21-19-8-7-17-14-18(27)15-23(28)26(17,3)22(19)11-12-25(20,21)2/h7,16,18-24,27-28H,4-6,8-15H2,1-3H3/t16-,18-,19+,20-,21+,22+,23+,24?,25-,26+/m1/s1 |
| InChIKey | SZJKJVYEBSUXFW-ZJKZFRDOSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DUJUsezPND2 |
|---|---|
| Name | Pregn-5-ene-1,3-diol, 20-[(tetrahydro-2H-pyran-2-yl)oxy]-, (1.alpha.,3.beta.,20R)- |
| CAS Registry Number | 75678-17-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-16(30-24-6-4-5-13-29-24)20-9-10-21-19-8-7-17-14-18(27)15-23(28)26(17,3)22(19)11-12-25(20,21)2/h7,16,18-24,27-28H,4-6,8-15H2,1-3H3/t16-,18-,19+,20-,21+,22+,23+,24?,25-,26+/m1/s1 |
| InChIKey | SZJKJVYEBSUXFW-ZJKZFRDOSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@](OC1OCCCC1)(C)[H])[H])C)[H])C)(O)[H])[H] |
| SPLASH | splash10-0a4j-9000000000-2b06429705a9f483eacf |
| Source of Spectrum | H-64-1889-0 |
| Synonyms | (1alpha,3beta,20R)-20-(tetrahydro-2H-pyran-2-yloxy)pregn-5-ene-1,3-diol (20R)-20-(tetrahydro-2H-pyran-2-yl)oxy-5-pregnen-1.alpha.,3.beta.-diol (1S,3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(2-oxanyloxy)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(oxan-2-yloxy)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| Wiley ID | 1377401 |