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AG00C9YS

Name: 17b-Dihydro Equilin
Brand: Angene Chemical
SKU: AG00C9YS

3563-27-7 | 17b-Dihydro Equilin

Chemical structure of 17b-Dihydro Equilin, CAS 3563-27-7

AG00C9YS

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CAS Number	3563-27-7
Catalog Number	AG00C9YS(AGN-PC-0O99K5)
Chemical Name	17b-Dihydro Equilin
EC Number	222-633-3
IUPAC Name	(9S,13S,14S,17S)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1
InChI Key	NLLMJANWPUQQTA-UBDQQSCGSA-N
MDL Number	MFCD00198979
Molecular Formula	C18H22O2
Molecular Weight	270.3661
SMILES	C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
UNII	WXG88DST4R
Synonyms	17 alpha-dihydroequilin, 17-dihydroequilin, 17alpha-dihydroequilein, alpha-dihydroequilin, beta-dihydroequilin, dihydroequilin, dihydroequilin, (17beta)-isomer, 17beta-Dihydroequilin, beta-Dihydroequilin, 3563-27-7, UNII-WXG88DST4R, 7-dehydro-estradiol, 17Beta-Dihydroequillin, 17beta-Dihydro Equilin, NSC 12170, WXG88DST4R, 7-dehydro-17beta-estradiol, ESTRA-1,3,5(10),7-TETRAENE-3,17BETA-DIOL, CHEMBL121458, 7,8-didehydro-17beta-estradiol, CHEBI:62851, estra-1(10),2,4,7-tetraene-3,17beta-diol, 7-Dehydroestradiol, 17b-Dihydroequilin, EINECS 222-633-3, Estra-1,3,5(10),7-tetraene-3,17\|A-diol, (17\|A)-Estra-1,3,5(10),7-tetraene-3,17-diol, SCHEMBL666925, ZINC4428374, BDBM50423526, C14485, W-202466, Estra-1,3,5(10),7-tetraene-3,17-diol, (17beta)-, (9S,13S,14S,17S)-13-Methyl-9,11,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, Dihydroequilin, \|A-Dihydroequilin, 17b-Dihydro Equilin, 17\|A-Dihydro Equilin, C18H22O2, C18-H22-O2, CID11954027, estra-1,3,5 ,7-tetraene-3,17beta-diol,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	270.162g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	270.372g/mol
Monoisotopic Mass	270.162g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited