AG001T2T

1624-62-0 | Estra-1,3,5(10)-trien-17-one, 3-methoxy-

AG001T2T

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CAS Number	1624-62-0
Catalog Number	AG001T2T(AGN-PC-0O4N3U)
Chemical Name	Estra-1,3,5(10)-trien-17-one, 3-methoxy-
EC Number	216-613-3
IUPAC Name	(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI	InChI=1S/C19H24O2/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/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChI Key	BCWWDWHFBMPLFQ-VXNCWWDNSA-N
MDL Number	MFCD00046228
Molecular Formula	C19H24O2
Molecular Weight	284.3927
NSC Number	88911
SMILES	C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OC
UNII	4SMZ4A51IJ
Synonyms	estrone 3-methyl ether, estrone 3-methyl ether, (+-)-isomer, Estrone 3-methyl ether, 1624-62-0, Estrone methyl ether, 3-Methoxyestra-1,3,5(10)-trien-17-one, Oestrone methyl ether, 3-Methoxyestrone, UNII-4SMZ4A51IJ, NSC 88911, MLS000028621, 3-methylether-estrone, 3-Methoxy-1,3,5(10)-estratrien-17-one, 3-Methoxyoestra-1,3,5(10)-trien-17-one, EINECS 216-613-3, Estra-1,3,5(10)-trien-17-one, 3-methoxy-, 4SMZ4A51IJ, SMR000058657, (8R,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, MFCD00046228, (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 3-o-methyl estrone, DL-Estrone methyl ether, (+/-)-O-Methylestrone, Estrone methyl ether, DL-, Estrone methyl ether, (+/-)-, Estrone methyl ether DL-form [MI], 3-O-Methyl-Estrone, Opera_ID_364, EC 216-613-3, AC1L3P2A, AC1Q6O9Z, cid_92895, MLS001076149, ARONIS24075, SCHEMBL959954, CHEMBL1409077, BDBM48630, CTK8B6830, BBC/214, DTXSID40167368, BCWWDWHFBMPLFQ-VXNCWWDNSA-N, Estra-1,3,5(10)-trien-17-one, 3-(methoxy)-, (+/-)-, HMS2231D16, CS-M3026, NSC88911, ZINC4081487, ANW-54547, NSC-88911, SBB080589, AKOS005111019, AKOS015851913, API0002613, KS-000046K9, 1091-94-7, AN-49566, CC-27536, SC-46225, Estrone 3-methyl ether, >=97% (HPLC), LS-185330, TR-006951, BB 0260813, E0917, 1,3,5(10)estratrien3ol-17one methyl ether, 3-methoxy-estra-1,3,5(10)-trien-17-one, Estra-1,5(10)-trien-17-one, 3-methoxy-, 1,3,5(10)estratrien-3ol-17one methyl ether, A21696, Z-0827, C-17919, W-109687, 3-methoxy-13beta-methylgona-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-methoxy- (8CI), 3-methoxy-13beta-methylgona-1,3,5 -(10)-trien-17-one, UNII-59359RSB8X component BCWWDWHFBMPLFQ-VXNCWWDNSA-N, 3-Methoxyestrone / 3-Methoxyestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-methoxy- (8CI)(9CI), (1S,10R,11S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one, (1S,11S,15S,10R)-5-methoxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca -2(7),3,5-trien-14-one, UNII-59359RSB8X, C19H24O2, 59359RSB8X, CID92895, AR-1F4033, ACN-044341, C19-H24-O2, H057, 1655-52-3,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	284.178g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.399g/mol
Monoisotopic Mass	284.178g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332-H351
Packing Group
Precautionary statements	P280-P201-P202-P308+P313-P405-P501
UN Code

Certificate of Analysis

Lot Number