2307-97-3
17-ALPHA-ETHYNYL-ESTR-5(10)-ENE-3-BETA,17-BETA-DIOL
Name17-ALPHA-ETHYNYL-ESTR-5(10)-ENE-3-BETA,17-BETA-DIOL
1Identification
【Name】
17-ALPHA-ETHYNYL-ESTR-5(10)-ENE-3-BETA,17-BETA-DIOL
【CAS】
【MDL】
MFCD01711312
【English Synonyms】
【Formula】
C20 H28 O2
【MolWeight】
300.439
【Inchi】
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16+,17+,18-,19-,20-/m0/s1
【InChIKey】
InChIKey=XSQAQKNJHGGMRV-CHZZJNJQSA-N
【SMILES】
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CC[C@@H](C4)O
【MOL File】
17-ALPHA-ETHYNYL-EST….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17-ALPHA-ETHYNYL-ESTR-5(10)-ENE-3-BETA,17-BETA-DIOL.cml