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121739-39-7 | Androst-4-en-17-one, 19-hydroxy-
CAS No: 121739-39-7 Catalog No: AG0015NI MDL No:
Product Description
Catalog Number:
AG0015NI
Chemical Name:
Androst-4-en-17-one, 19-hydroxy-
CAS Number:
121739-39-7
Molecular Formula:
C19H28O2
Molecular Weight:
288.4244
IUPAC Name:
(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-16,20H,2-3,5-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChI Key:
UGCIHWZOIVCJGP-BGJMDTOESA-N
SMILES:
OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
288.209g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.431g/mol
Monoisotopic Mass:
288.209g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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