Catalog Number:
AG0059XN
Chemical Name:
2,4,16-tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one
CAS Number:
79258-15-4
Molecular Formula:
C18H19Br3O2
Molecular Weight:
507.0543
MDL Number:
MFCD18252574
IUPAC Name:
(8R,9S,13S,14S,16R)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C18H19Br3O2/c1-18-5-4-8-9(12(18)7-14(20)17(18)23)2-3-10-11(8)6-13(19)16(22)15(10)21/h6,8-9,12,14,22H,2-5,7H2,1H3/t8-,9+,12-,14+,18-/m0/s1
InChI Key:
ADSWXPLGWUHJRG-GYYZZVMYSA-N
SMILES:
BrC1C[C@@H]2[C@](C1=O)(C)CC[C@H]1[C@H]2CCc2c1cc(c(c2Br)O)Br
