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1229-32-9 | Estra-1,3,5,7,9-pentaen-17-one, 3-methoxy-, (14β)-
CAS No: 1229-32-9 Catalog No: AG000JRD MDL No:
Product Description
Catalog Number:
AG000JRD
Chemical Name:
Estra-1,3,5,7,9-pentaen-17-one, 3-methoxy-, (14β)-
CAS Number:
1229-32-9
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
(13S,14R)-3-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17H,7-10H2,1-2H3/t17-,19+/m1/s1
InChI Key:
LAFFTPKGTZPBMG-MJGOQNOKSA-N
SMILES:
COc1ccc2c(c1)ccc1c2CC[C@]2([C@@H]1CCC2=O)C
NSC Number:
31616
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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