| SpectraBase Compound ID | 7DY1E3gASvw |
|---|---|
| InChI | InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,14,17-21,24H,6-13H2,1-4H3/t14-,17+,18+,19-,20+,21+,22+,23-/m1/s1 |
| InChIKey | KXWWWRVUYQUXMN-ZLTRAVGQSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C23H36O3 |
| Exact Mass | 360.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5TtoD2785AR |
|---|---|
| Name | Pregn-5-ene-3,20-diol, 3-acetate, (3.beta.,20R)- |
| CAS Registry Number | 14553-79-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O3 |
| InChI | InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,14,17-21,24H,6-13H2,1-4H3/t14-,17+,18+,19-,20+,21+,22+,23-/m1/s1 |
| InChIKey | KXWWWRVUYQUXMN-ZLTRAVGQSA-N |
| Molecular Weight | 360.538 g/mol |
| SMILES | O[C@@]([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)[H])(C)[H] |
| SPLASH | splash10-0udi-0049000000-38a4393ebec86caa2bb7 |
| Source of Spectrum | KC-1989-409-19 |
| Synonyms | Pregn-5-ene-3.beta.,20.beta.-diol, 3-acetate (20R)-3.beta.-Acetoxy-20-hydroxypregn-5-ene (3beta,20R)-20-hydroxypregn-5-en-3-yl acetate 20(R)-3.beta.-pregn-5-en-20-ol-3-acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-oxidanylethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-oxidanylethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1348661 |