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7153-19-7 | 3-methoxy-androsta-3,5-diene-7,17-dione
CAS No: 7153-19-7 Catalog No: AG005H3U MDL No:
Product Description
Catalog Number:
AG005H3U
Chemical Name:
3-methoxy-androsta-3,5-diene-7,17-dione
CAS Number:
7153-19-7
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
IUPAC Name:
(8R,9S,10R,13S,14S)-3-methoxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
InChI:
InChI=1S/C20H26O3/c1-19-8-6-13(23-3)10-12(19)11-16(21)18-14-4-5-17(22)20(14,2)9-7-15(18)19/h10-11,14-15,18H,4-9H2,1-3H3/t14-,15-,18-,19-,20-/m0/s1
InChI Key:
AUFJJDNCJZQOKS-ZESOOZHZSA-N
SMILES:
COC1=CC2=CC(=O)[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CCC1=O)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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