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800-00-0 | Pregn-4-ene-3,20-dione,15b-fluoro- (7CI,8CI)
CAS No: 800-00-0 Catalog No: AG005DS8 MDL No:
Product Description
Catalog Number:
AG005DS8
Chemical Name:
Pregn-4-ene-3,20-dione,15b-fluoro- (7CI,8CI)
CAS Number:
800-00-0
Molecular Formula:
C21H29FO2
Molecular Weight:
332.4522
IUPAC Name:
17-acetyl-15-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)17-11-18(22)19-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19H,4-9,11H2,1-3H3
InChI Key:
KAWQTQXJOMANFC-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C(F)C[C@@H]2C(=O)C)C)C
NSC Number:
102846
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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