4954-14-7
1,3,5(10)-ESTRATRIEN-17ALPHA-METHYL-3,17BETA-DIOL 3-METHYL ETHER
Name1,3,5(10)-ESTRATRIEN-17ALPHA-METHYL-3,17BETA-DIOL 3-METHYL ETHER
1Identification
【Name】
1,3,5(10)-ESTRATRIEN-17ALPHA-METHYL-3,17BETA-DIOL 3-METHYL ETHER
【CAS】
【MDL】
MFCD00271544
【English Synonyms】
【Formula】
C20 H28 O2
【MolWeight】
300.439
【Inchi】
InChI=1S/C20H28O2/c1-19-10-8-16-15-7-5-14(22-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)21/h5,7,12,16-18,21H,4,6,8-11H2,1-3H3/t16-,17-,18+,19+,20+/m1/s1
【InChIKey】
InChIKey=AZQAIRJYCUWZPD-SLHNCBLASA-N
【SMILES】
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C)O)OC
【MOL File】
1,3,5(10)-ESTRATRIEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5(10)-ESTRATRIEN-17ALPHA-METHYL-3,17BETA-DIOL 3-METHYL ETHER.cml