| SpectraBase Spectrum ID |
LcGCtYf94kV |
| Name |
6.beta.-Hydroxytibolone |
| Appearance |
White amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-4-21(24)10-8-17-18-12(2)19(23)16-11-13(22)5-6-14(16)15(18)7-9-20(17,21)3/h1,12,15,17-19,23-24H,5-11H2,2-3H3/t12-,15+,17-,18+,19+,20-,21-/m0/s1 |
| InChIKey |
UBVPMVWSRCTBQD-NDPXFDHASA-N |
| Instrument Name |
Varian MAT 12 or Varian MAT 312 |
| Ionization Type |
EI |
| Molecular Weight |
328.452 g/mol |
| Optical Rotation |
[a]D25 = -17 (c = 0.35, CHCl3) |
| Reported Formula |
C21H28O3 |
| SMILES |
O[C@@]1([C@]([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2(C=2CCC(CC12)=O)[H])C)(O)C#C)[H])[H])(C)[H])[H] |
| SPLASH |
splash10-0a4i-8910000000-677a61a7e101a8e47902 |
| Source of Spectrum |
US8198041B2 |
| Wiley ID |
1846841 |
