AG0034TH

5571-36-8 | Estra-5(10),9(11)-diene-3,17-dione 3-ethylene ketal

AG0034TH

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CAS Number	5571-36-8
Catalog Number	AG0034TH(AGN-PC-0SJIZR)
Chemical Name	Estra-5(10),9(11)-diene-3,17-dione 3-ethylene ketal
IUPAC Name	(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
InChI	InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
InChI Key	XUOQKQRMICQUQC-AOIWGVFYSA-N
MDL Number	MFCD08062585
Molecular Formula	C20H26O3
Molecular Weight	314.4186
SMILES	C[C@@]12[C@]([C@]3(C(C4=C(CC3)CC5(CC4)OCCO5)=CC1)[H])(CCC2=O)[H]
Synonyms	5571-36-8, Estradiene dione-3-keta, Estra-5(10),9(11)-diene-3,17-dione 3-Ethylene Ketal, (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one, 3-Ethylene dioxy-17-oxo estra-5(10), 9(11)-diene, 3,3-(Ethylenedioxy)estra-5(10),9(11)-dien-17-one, 3-Ethylene dioxy-17-oxo-13-methyl estra-5(10)9(11)-diene, (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one, Dienogest Impurity L, AC1OEARS, KSC925M6B, SCHEMBL1173789, CTK8C5660, DTXSID30427741, XUOQKQRMICQUQC-AOIWGVFYSA-N, BCP13464, EBD48744, ZINC4026276, MFCD08062585, STL556506, 3-ketal-Estra-5,10-diene-17-one, AKOS015840140, AKOS016011499, ACN-036951, CS-W007969, GS-3157, RTC-064000, KS-00000G54, AC-28722, AJ-47751, AK122543, BC658102, CJ-11272, SC-15782, AB0063780, E0918, ST24030416, 571E368, Q-102805, 3,3-ethylenedioxyestra-5(10), 9(11)-dien-17-one, 3,3-ethylenedioxyestra-5(10),9(11)-diene-17-one, 3,3-(Ethylenedioxy)estra-5(10),9(11)-diene-17-one, 3,3-ethylenedioxy-estra-5(10),9(11)-diene-17-one, 3-Ethylene dioxy-17-oxo estra-5 (10), 9(11)-diene, 3-Ethylene dioxy-17-oxo-13-methyl estra-5(10)9(11), 3,3-[1,2-ethanediylbis(oxy)]estra-5(10),9(11)-dien-17-one, cyclic 3-(1,2-ethanediyl acetal) estra-5(10),9(11)-diene-3,17-dione, Cyclic 3-(1,2-Ethanediyl Acetal)-estra-5(10),9(11)-diene-3,17-dione, Cyclic-3-(1,2-ethanediyl acetal)-estra-5(10),9(11)-dien-3,17-dione, estra-5(10),9(11)-diene-3,17-dione cyclic 3-(1,2-ethanediyl acetal);, Spiro[1,3-dioxolan-2,3'-estra-5'(10'),9'(11')-dien]-17'-one, (10'S,11'S,15'S)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0?,?.0??,??]heptadecane]-1'(17'),2'(7')-dien-14'-one, (10'S,11'S,15'S)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-1'(17'),2'(7')-dien-14'-one, (8S,13S,14S)-13-methyl-1,4,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-one, Ethylene deltenone, Estradienedione-3-keta, Ethylene Deltenone - 5G 5g, C20H26O3, ZINC04026278, CID7076399, H058, EC 427-230-8, cyclic 3-(1,2-ethanediylacetale)-estra-5(10),9(11)-diene-3,17-dione, (8S,13S,14S)-13-Methyl-1,4,6,7,8,12,13,14,15,16-decahydrospiro(cyclopenta(a)phenanthrene-3,2'-(1,3)dioxolan)-17(2H)-one,

Complexity	623
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	314.188g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.425g/mol
Monoisotopic Mass	314.188g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words	dangerous

Certificate of Analysis

Lot Number