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(3beta,14xi)-17-Ethynyl-7-Methylestr-5(10)-Ene-3,17-Diol
[CAS# 100239-45-0]

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Identification
Name (3beta,14xi)-17-Ethynyl-7-Methylestr-5(10)-Ene-3,17-Diol
Synonyms 3β-Hydroxy Tibolone
Molecular Structure CAS#: 100239-45-0, (3beta,14xi)-17-Ethynyl-7-Methylestr-5(10)-Ene-3,17-Diol
Molecular Formula C21H30O2
Molecular Weight 314.46
CAS Registry Number 100239-45-0
SMILES CC1CC2=C(CC[C@@H](C2)O)C3[C@@H]1C4CCC([C@]4(CC3)C)(C#C)O
InChI 1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13?,15-,17?,18?,19+,20-,21?/m0/s1
InChIKey YLEUWNOTNJZCBN-PIURECARSA-N
Properties
Density 1.143g/cm3 (Cal.)
Boiling point 449.097°C at 760 mmHg (Cal.)
Flash point 201.335°C (Cal.)
Refractive index 1.578 (Cal.)
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