AG003BZ3

72648-46-5 | (8R，9S，10R，13S，14S)-10，13-Dimethyl-7，8，9，11，12，13，15，16-octahydro-10H-cyclopenta[a]phenanthrene-3，6，17(14H)-trione

AG003BZ3

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CAS Number	72648-46-5
Catalog Number	AG003BZ3(AGN-PC-0OH5PE)
Chemical Name	(8R，9S，10R，13S，14S)-10，13-Dimethyl-7，8，9，11，12，13，15，16-octahydro-10H-cyclopenta[a]phenanthrene-3，6，17(14H)-trione
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
MDL Number	MFCD19442767
Molecular Formula	C19H22O3
Molecular Weight	298.3762
SMILES	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Synonyms	72648-46-5, Androsta-1,4-diene-3,6,17-trione, (8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,13,15,16-octahydro-10H-cyclopenta[a]phenanthrene-3,6,17(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, AC1L36KH, AC1Q6AB0, CTK2I0861, 1,4-androstandien-3,6,17-trione, 4778AJ, FCE 24204, MFCD19442767, ZINC72400263, AKOS024257658, AS-32638, SC-25357, TC-298124, Androsta-1,4-diene-3,6,17-trione(9CI), Z-4075, (8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,8,9,11,12,13,15,16-OCTAHYDRO-10H-CYCLOPENTA[A]PHENANTHRENE-3,6, (8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,11,12,13,15,16-Octahydro-10H-Cyclopenta[A]Phenanthrene-3,6,, (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,6,17-trione, 6-Oxo Boldione, 1-(Octadecylamino)propan-2-ol, BXPQXTJWPDQYMP-IEVKOWOJSA-N, C19H22O3, AR-1H7328, CID135516, CS-T-38416, 75332-44-4,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number