| SpectraBase Compound ID | 9BXJWrcMiLg |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-15(26-13-24)19-6-7-20-18-5-4-16-12-17(27-14-25)8-10-22(16,2)21(18)9-11-23(19,20)3/h13-21H,4-12H2,1-3H3 |
| InChIKey | BLLDJXKMYCTWAL-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EmDPdD7DhDU |
|---|---|
| Name | Pregnane-3,20-diol, diformate, (3.alpha.,5.beta.,20S)- |
| CAS Registry Number | 67708-37-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-15(26-13-24)19-6-7-20-18-5-4-16-12-17(27-14-25)8-10-22(16,2)21(18)9-11-23(19,20)3/h13-21H,4-12H2,1-3H3 |
| InChIKey | BLLDJXKMYCTWAL-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(=O)OC1CCC2(C(CCC3C4C(CCC23)(C(CC4)C(C)OC=O)C)C1)C |
| SPLASH | splash10-00lr-6961000000-aae3d3fb26cdec43dd2a |
| Source of Spectrum | W5-1989-6425-1 |
| Synonyms | 20-(Formyloxy)pregnan-3-yl formate 5.beta.-Pregnane-3.alpha.,20.alpha.-diol, diformate Pregnane-3,20-diol, diformate, (3.alpha.,5.beta.,2OS)- [17-(1-formyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate [17-(1-methanoyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate |
| Wiley ID | 1357955 |