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Estrone Impurity 6

CAT: 1299-RM-E050806-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E050806-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362-07-2
Synonyms
2-Methoxyestradiol; (8R,9S,13S,14S,17S) -2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular Formula
C19H26O3
Molecular Weight
302.41
Target Alternative Name
Estrone
Product Name Synonym
2-Methoxyestradiol; (8R,9S,13S,14S,17S) -2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Chemical Information

2-Methoxyestradiol

2-methoxy-17beta-estradiol is a 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. It has a role as a metabolite, an antineoplastic agent, an angiogenesis modulating agent, an antimitotic, a mouse metabolite and a human metabolite. It is a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol.

CAS Number362-07-2
PubChem CID66414
IUPAC Name(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC19H26O3
Molecular Weight302.4
XLogP4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity425
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O
InChI
InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey
CQOQDQWUFQDJMK-SSTWWWIQSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyestradiol
CAS: 362-07-2
CID: 66414
Formula: C19H26O3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass302.18819469
Monoisotopic Mass302.18819469
Topological Polar Surface Area49.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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