AG00DBJW

54024-21-4 | (8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(6H)-one

AG00DBJW

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CAS Number	54024-21-4
Catalog Number	AG00DBJW(AGN-PC-0OBZPW)
Chemical Name	(8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(6H)-one
IUPAC Name	(8S,9S,10R,14S)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI	InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17-,19+,20?/m0/s1
InChI Key	KVNYZZFGXXHVMG-XFAGIWRCSA-N
MDL Number	MFCD08458336
Molecular Formula	C20H28O
Molecular Weight	284.4357
SMILES	O=C(C1(CC)C2)CC[C@@]1([H])[C@]3([H])CCC4=CCCC[C@]4([H])[C@@]3([H])C2=C
Synonyms	13-ethyl-11-methylenegon-4-en-17-one, 13beta-ethyl-11-methylenegon-4-en-17-one, 54024-21-4, (8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(6H)-one, 13 -Ethyl-11-methylenegon-4-en-17-one, ANW-60225, AKOS015896660, LS40330, RL04001, 13-Ethyl-11-methylenegon-4-en-17-one, 13b-Ethyl-11-methylenegon-4-en-17-one, MolPort-023-331-417, DS-3701, AN-40695, AX8232930, TC-148970, I06-2185, (8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13, (8S,9S,10R,14S)-13-ethyl-11-methylene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, (8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13, 14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(6H)-one, (8S,9S,10R,14S)-13-Ethyl-11-methylene-2,3,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phe, Desogestrel impurity C, UNII-8I5JC3O57T, Desogestrel impurity C [EP], Desogestrel specified impurity C [EP], ACN-037312, 11-methylene-13-ethyl-gon-4-ene-17-one, 13-Ethyl-11-methylidenegon-4-en-17-one, 13beta-ethyl-11-methylenegon-4-en-17-one, Gon-4-en-17-one, 13-ethyl-11-methylene-, (+)-13beta-Ethyl-11-methylenegon-4-en-17-one, 11-methlene-13-ethyl -18,19-dinor-androst-17-one,

Complexity	514
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	284.214g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.443g/mol
Monoisotopic Mass	284.214g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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