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120051-39-0 | Androst-4-ene-3,6,17-trione, 14-hydroxy-
CAS No: 120051-39-0 Catalog No: AG000Q7G MDL No:
Product Description
Catalog Number:
AG000Q7G
Chemical Name:
Androst-4-ene-3,6,17-trione, 14-hydroxy-
CAS Number:
120051-39-0
Molecular Formula:
C19H24O4
Molecular Weight:
316.3915
IUPAC Name:
(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
InChI:
InChI=1S/C19H24O4/c1-17-6-3-11(20)9-14(17)15(21)10-13-12(17)4-7-18(2)16(22)5-8-19(13,18)23/h9,12-13,23H,3-8,10H2,1-2H3/t12-,13+,17+,18+,19+/m0/s1
InChI Key:
UKVVNEHFNYKGMX-KIVPVIKRSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@@]1(O)CCC2=O)C)C
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
316.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.397g/mol
Monoisotopic Mass:
316.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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