| SpectraBase Spectrum ID |
BIBMWikpCbU |
| Name |
3.beta.,6.beta.-Dihydroxytibolone |
| Appearance |
White powdered solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/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/h1,12-13,15,17-19,22-24H,5-11H2,2-3H3/t12-,13-,15+,17-,18+,19+,20-,21-/m0/s1 |
| InChIKey |
AEMMMUQRIIHNMC-ODYJFDFVSA-N |
| Instrument Name |
Varian MAT 12 or Varian MAT 312 |
| Ionization Type |
EI |
| Molecular Weight |
330.468 g/mol |
| Optical Rotation |
[a]D25 = +105 (c = 0.31, CHCl3) |
| Reported Formula |
C21H32O3 |
| SMILES |
O[C@]1(C2=C(CC[C@@](C2)(O)[H])[C@@]2([C@@]([C@@]1(C)[H])([C@]1([C@](CC2)([C@](CC1)(O)C#C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-006y-9631000000-4b6a1543e04325e6d705 |
| Source of Spectrum |
US8198041B2 |
| Wiley ID |
1846838 |
