| SpectraBase Spectrum ID |
DnRz3NG1AbR |
| Name |
15.beta.-Hydroxytibolone |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-4-21(24)11-17(23)19-18-12(2)9-13-10-14(22)5-6-15(13)16(18)7-8-20(19,21)3/h1,12,16-19,23-24H,5-11H2,2-3H3/t12-,16-,17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
ZXJSCPIASZSZRF-SDZVZFPISA-N |
| Instrument Name |
Varian MAT 12 or Varian MAT 312 |
| Ionization Type |
EI |
| Molecular Weight |
328.452 g/mol |
| Optical Rotation |
[a]D25 = +16 (c = 0.31, CHCl3) |
| Reported Formula |
C21H28O3 |
| SMILES |
O[C@]1([C@@]2([C@@]([C@](C1)(O)C#C)(CC[C@]1([C@]2([C@@](CC2=C1CCC(C2)=O)(C)[H])[H])[H])C)[H])[H] |
| SPLASH |
splash10-03dj-9845000000-8480564ed84fa89c747d |
| Source of Spectrum |
US8198041B2 |
| Wiley ID |
1846842 |
