| Identification | More | [Name]
Nilestriol | [CAS]
39791-20-3 | [Synonyms]
17alpha-ethynylestra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-cyclopentyl ether
3-(cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol
NILESTRIOL
nylestriol
17α-Ethynyl-3-cyclopentyloxyestra-1,3,5(10)-triene-16α,17β-diol | [Molecular Formula]
C25H32O3 | [MDL Number]
MFCD00867390 | [Molecular Weight]
380.52 | [MOL File]
39791-20-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
162-165 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3)) | [Boiling point ]
521.7±50.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
12.57±0.60(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3 | [InChIKey]
CHZJRGNDJLJLAW-UHFFFAOYSA-N | [SMILES]
C1=C2C(CCC3C2CCC2(C)C3CC(O)C2(C#C)O)=CC(OC2CCCC2)=C1 | [CAS DataBase Reference]
39791-20-3(CAS DataBase Reference) |
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