USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $6.00-10.00 / Kilogram
【name】
androst-4-ene-3,17-dione,11-hydroxy-
【iupac name】
(8s,9s,10r,13s,14s)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,
16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
【cas registry number】
564-32-9
【synonyms】
11-hydroxy-4-androstene-3,17-dione
d4-androstene-11-ol-3,17-dione
【molecular formula】
c19h26o3 (products with the same molecular formula)
【molecular weight】
302.4079
【inchi】
inchi=1/c19h26o3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21h,3-8,10h2,1-2h3/t13-,14-,15,17+,18-,19-/m0/s1
【canonical smiles】
cc12ccc(=o)c=c1ccc3c2c(cc4(c3ccc4=o)c)o
【isomers smiles】
c[c@]12ccc(=o)c=c1cc[c@@h]3[c@@h]2c(c[c@]4([c@h]3ccc4=o)c)o
【mol file】
564-32-9.mol
chemical and physical properties
【density】
1.19g/cm3
【boiling point】
475.3°cat760mmhg
【refractive index】
1.569
【flash point】
255.4°c
【computed properties】
molecular weight:302.40794 [g/mol]
molecular formula:c19h26o3
xlogp3:1.6
h-bond donor:1
h-bond acceptor:3
rotatable bond count:0
tautomer count:10
exact mass:302.188195
monoisotopic mass:302.188195
topological polar surface area:54.4
heavy atom count:22
formal charge:0
complexity:577
isotope atom count:0
defined atom stereocenter count:5
undefined atom stereocenter count:1
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:3
feature 3d donor count:1
feature 3d ring count:4
effective rotor count:1.6
conformer sampling rmsd:0.6
cid conformer count:1