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2300-03-0 | Pregn-4-ene-3,20-dione, 6-fluoro-, (6α)-
CAS No: 2300-03-0 Catalog No: AG002LTM MDL No:
Product Description
Catalog Number:
AG002LTM
Chemical Name:
Pregn-4-ene-3,20-dione, 6-fluoro-, (6α)-
CAS Number:
2300-03-0
Molecular Formula:
C21H29FO2
Molecular Weight:
332.4522
IUPAC Name:
(6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1
InChI Key:
UZROOFLUFHWOJQ-ADDDSGAWSA-N
SMILES:
O=C1CC[C@]2(C(=C1)[C@@H](F)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
332.215g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.459g/mol
Monoisotopic Mass:
332.215g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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