Catalog Number:
AG00I5C0
Chemical Name:
Androsta-1,4-diene-17-carboxylic acid,6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)-
CAS Number:
28416-82-2
Molecular Formula:
C21H26F2O5
Molecular Weight:
396.4249
MDL Number:
MFCD09832931
IUPAC Name:
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
InChI:
InChI=1S/C21H26F2O5/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,28)17(26)27/h4-5,7,10,12-13,15-16,25,28H,6,8-9H2,1-3H3,(H,26,27)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1
InChI Key:
QSVBUQTYFQFEHC-IDIDPBNYSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)[C@@H](F)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)O)C)C)C
