Equilenin

CAT: 1596-AR-E01646-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01646-01Size:10 Units

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CAS Number

517-09-9

Synonyms

3-Hydroxyestra-1,3,5,7,9-pentaen-17-one; (+) -Equilenin; 3-Hydroxyestra-1,3,5 (10),6,8-pentaen-17-one

Molecular Formula

C18H18O2

Molecular Weight

266.34

API Name

Equilenin

Chemical Information

Equilenin

Equilenin is a 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. It has a role as an antioxidant and a mammalian metabolite. It is a 17-oxo steroid and a 3-hydroxy steroid.

CAS Number	517-09-9
PubChem CID	444865
IUPAC Name	(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Molecular Formula	C18H18O2
Molecular Weight	266.3
XLogP	3.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	418

SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

InChIKey

PDRGHUMCVRDZLQ-WMZOPIPTSA-N

Chemical Structure

2D Structure

CAS: 517-09-9

CID: 444865

Formula: C18H18O2

MW: 266.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	266.3
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	266.130679813
Monoisotopic Mass	266.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	418
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-E01660-01	Equisetin
AR-E01653-01	Equilin
AR-E01651-01	Equilin-d4
AR-E10149-01	Equilin-d4
AR-E01659-01	17-beta-Dihydro Equilin
AR-E10148-01	Equilin-d4 Sulfate Sodium Salt
AR-E01652-01	Equilin 3-Sulfate Sodium Salt
AR-E01650-01	Equilin-d4 Sulfate Sodium Salt
AR-E01658-01	17?-Dihydro Equilin 3-Sulfate Sodium Salt
AR-E10145-01	17a-Dihydro Equilin 3-Sulfate Sodium Salt

Alternative Products

Catalog	Name
T19776-01	Equilenin
TRC-E592402-5MG	Equilenin-d3
RM-E201224-01	Equilenin Sulfate
RM-E201222-01	17α-Dihydro Equilenin
TRC-D448960-25MG	17b-Dihydro Equilenin
TRC-D448960-2.5MG	17Beta-Dihydro Equilenin
RM-E201223-01	Equilenin Impurity 23
TRC-D448955-0.5MG	17a-Dihydro Equilenin
sc-471333	17β-Dihydro equilenin
TRC-D448955-5MG	17Alpha-Dihydro Equilenin

Equilenin

Chemical Information

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