Home Other Building Blocks (8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,13,15,16-octahydro-3H-cyclopenta[a]phenanthrene-3,6,17(10H,14H)-trione

(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,13,15,16-octahydro-3H-cyclopenta[a]phenanthrene-3,6,17(10H,14H)-trione

CAS No.:
72648-46-5
Catalog Number:
AG003BZ3
Molecular Formula:
C19H22O3
Molecular Weight:
298.3762
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Product Description
Catalog Number:
AG003BZ3
Chemical Name:
(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,13,15,16-octahydro-3H-cyclopenta[a]phenanthrene-3,6,17(10H,14H)-trione
CAS Number:
72648-46-5
Molecular Formula:
C19H22O3
Molecular Weight:
298.3762
MDL Number:
MFCD19442767
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,6,17-trione
InChI:
InChI=1S/C19H22O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h5,7,9,12-14H,3-4,6,8,10H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1
InChI Key:
BXPQXTJWPDQYMP-IEVKOWOJSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Properties
Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
298.157g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.382g/mol
Monoisotopic Mass:
298.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties