AG003BZ4

184972-12-1 | Spiro[androsta-1,4-diene-6,2'-oxirane]-3,17-dione(Mixture of Diastereomers)

AG003BZ4

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CAS Number	184972-12-1
Catalog Number	AG003BZ4(AGN-PC-0O5CK3)
Chemical Name	Spiro[androsta-1,4-diene-6,2'-oxirane]-3,17-dione(Mixture of Diastereomers)
IUPAC Name	(8R,9S,10R,13S,14S)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione
InChI	InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20?/m0/s1
InChI Key	GFNJDRLFFJDJAC-YCNUYBHRSA-N
MDL Number	MFCD19442795
Molecular Formula	C20H24O3
Molecular Weight	312.4028
SMILES	C[C@]12CC[C@H]3[C@@H](CC4(CO4)C5=CC(=O)C=C[C@]35C)[C@@H]1CCC2=O
Synonyms	184972-12-1, Spiro[androsta-1,4-diene-6,2'-oxirane]-3,17-dione, (8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,2'-oxirane]-3,17(10H,14H)-dione, (8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-, CTK8E1514, 4779AJ, MFCD19442795, AKOS015902916, AS-32580, AB0063737, DB-065506, TC-306412, Z-4314, I14-20167, GFNJDRLFFJDJAC-YCNUYBHRSA-N, C20H24O3, 42389-34-4,

Complexity	689
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	312.173g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.409g/mol
Monoisotopic Mass	312.173g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312
UN Code

Certificate of Analysis

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