| SpectraBase Compound ID | 6Wyzndik471 |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,14,16-20,23-24H,5-13H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | OHOZGQXXXVZLBJ-NBOCEFNVSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 50MSL0GjJd4 |
|---|---|
| Name | Pregn-5-ene-3,21-diol, 20-methyl-, (3.beta.,20S)- |
| CAS Registry Number | 10162-98-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,14,16-20,23-24H,5-13H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | OHOZGQXXXVZLBJ-NBOCEFNVSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CO)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-06r5-4958000000-6dc35709bcfb94720ace |
| Source of Spectrum | H-64-1884-0 |
| Synonyms | (1S,2R,5S,10S,11S,14R,15S)-14-[(2S)-1-hydroxypropan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol (20S)-20-methyl-5-pregnen-3.beta.,21-diol Pregn-5-ene-3.beta.,21-diol, 20-methyl- Pregn-5-ene-3.beta.,21-diol, 20.beta.-methyl- (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1329932 |