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Home > Other Building Blocks > 1235-97-8
1235-97-8 | Pregn-4-en-3-one, 17-hydroxy-, (17α)-
CAS No: 1235-97-8 Catalog No: AG000KOQ MDL No:
Product Description
Catalog Number:
AG000KOQ
Chemical Name:
Pregn-4-en-3-one, 17-hydroxy-, (17α)-
CAS Number:
1235-97-8
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-17-ethyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21-/m1/s1
InChI Key:
FGPGANCDNDLUST-SJFWLOONSA-N
SMILES:
CC[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Effect of testosterone and steroids homologues on indolamines and lipid peroxidation in rat brain. | The Journal of steroid biochemistry and molecular biology 20050301 |
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