| SpectraBase Spectrum ID |
Gw32RUXujTW |
| Name |
20-Oxo-pregnacalciferol |
| Alternate Name(s) |
1-[(4E,7aS)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
1-[(4E,7aS)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
1-[(4E,7aS)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-14-6-9-18(23)13-17(14)8-7-16-5-4-12-21(3)19(15(2)22)10-11-20(16)21/h7-8,18-20,23H,1,4-6,9-13H2,2-3H3/b16-7+,17-8-/t18-,19?,20?,21+/m0/s1 |
| InChIKey |
PXXHJWCVGKGOFV-BZZZDNCSSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
O[C@@]1(C\C(=C\C=C\2C3[C@@](C(CC3)C(=O)C)(CCC2)C)C(CC1)=C)[H] |
| SPLASH |
splash10-00kf-8922000000-c2d05d4100e579b992c3 |
| Source of Spectrum |
AT-35-2298-3 |
| Wiley ID |
852668 |
