| SpectraBase Compound ID | 5gYjpcq5t6h |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQ72XHPN9P1 |
|---|---|
| Name | Pregnane-3,17,20-triol |
| Alternate Name(s) | (3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol (3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol Pregnanetriol |
| CAS Registry Number | 27178-64-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](CC[C@]3([C@]4([C@@]([C@](CC4)([C@@](O)(C)[H])O)(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH | splash10-0a4l-9740000000-d86d252bb4dc076d427f |
| Wiley ID | 1509286 |