| SpectraBase Spectrum ID |
D2LRalVtcPL |
| Name |
6.beta.-Hydroxy-.delta.4-tibolone |
| Appearance |
White powdered solid |
| Copyright |
Copyright © 2020-2025 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/h1,11-12,14-15,17-19,23-24H,5-10H2,2-3H3/t12-,14+,15+,17-,18+,19+,20-,21-/m0/s1 |
| InChIKey |
VLOUKESYMHVILT-XPOJUAFYSA-N |
| Instrument Name |
Varian MAT 12 or Varian MAT 312 |
| Ionization Type |
EI |
| Molecular Weight |
328.452 g/mol |
| Optical Rotation |
[a]D25 = -101 (c = 0.41, CHCl3) |
| Reported Formula |
C21H28O3 |
| SMILES |
O[C@]1(C=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(O)C#C)(CC3)C)[H])([C@@]1(C)[H])[H])[H])(CCC(C2)=O)[H])[H] |
| SPLASH |
splash10-0aor-9621000000-9c0dd72caf03b3cb04d9 |
| Source of Spectrum |
US8198041B2 |
| Wiley ID |
1846834 |
