AG00BRCU

Name: Estradiol 3-Propyl Ether
Brand: Angene Chemical
SKU: AG00BRCU

22034-63-5 | Estradiol 3-Propyl Ether

AG00BRCU

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CAS Number	22034-63-5
Catalog Number	AG00BRCU(AGN-PC-0O7XXD)
Chemical Name	Estradiol 3-Propyl Ether
IUPAC Name	(8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
InChI	InChI=1S/C21H30O2/c1-3-12-23-15-5-7-16-14(13-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22/h5,7,13,17-20,22H,3-4,6,8-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
InChI Key	OKWLCMYNQNHQSR-MJCUULBUSA-N
MDL Number	MFCD31718087
Molecular Formula	C21H30O2
Molecular Weight	314.4617
SMILES	CCCOc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1
Synonyms	estradiol 3-propyl ether, Estradiol 3-propyl ether, AR-1F5113, 22572-40-3, 22034-63-5, 3-propoxyestra-1,3,5(10)-trien-17\|A-ol, AC1L2A0G, AC1Q56NR, 3-Propoxyestra-1,3,5(10)-trien-17beta-ol, (8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol, estradiol3-propylether, CID68569,

Complexity	422
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	314.225g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.469g/mol
Monoisotopic Mass	314.225g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited