Estratetraenol Methyl Ether

CAT: 1299-RM-P181307-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181307-01Size:10 mg

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CAS Number

28336-31-4

Synonyms

3-Methoxy-estra-1,3,5 (10),16-tetraene

Molecular Formula

C19H24O

Molecular Weight

268.39

Target Alternative Name

Estratetraenol

Chemical Information

3-Methoxyestra-1,3,5(10),16-tetraene

3-Methoxyestra-1,3,5(10),16-tetraene is a steroid. It derives from a hydride of an estrane.

CAS Number	28336-31-4
PubChem CID	251117
IUPAC Name	(8S,9S,13R,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene
Molecular Formula	C19H24O
Molecular Weight	268.4
XLogP	5.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	401

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C19H24O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h3,6,8,10,12,16-18H,4-5,7,9,11H2,1-2H3/t16-,17-,18+,19+/m1/s1

InChIKey

HDBRXSVHQAGDAZ-YRXWBPOGSA-N

Chemical Structure

2D Structure

CAS: 28336-31-4

CID: 251117

Formula: C19H24O

MW: 268.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.4
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	268.182715385
Monoisotopic Mass	268.182715385
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P181309-01	Estratetraenone Methyl Ether
RM-P181306-01	Estratetraenol
RG-E140316-01	Methyl isopropyl ether
RG-B202501-01	Tert-Butyl Methyl Ether
RM-R210901-01	Rubiadin 1-Methyl Ether
RM-L192017-01	Zidovudine EP Impurity K; Candesartan Trityl Methyl Ether Impurity; Losartan Trityl Methyl Ether Impurity
RM-A202228-01	Atorvastatin Lactone 3-O-Methyl Ether
RG-A260966-01	Poly (Ethylene Glycol) Methyl Ether, Mw ~5000
RG-P241802-01	Pyrazole Ether
RG-E140329-01	Dimethallyl Ether

Catalog	Name
280448-01	17-Iodo-3-O-methyl estratetraenol
MBS6046747-01	Triclosan Methyl Ether (Methyl Ether Triclosan)
MBS6043845-01	17-Iodo-3-O-methyl Estratetraenol-d5
050165-01	Chloro Methyl Methyl Ether
703008	CYCLOPENTYL METHYL ETHER
FT28422-01	Triclosan methyl ether
FB07105-01	Bromomethyl methyl ether
HY-134038-01	Cannabinol methyl ether
TN1585	Dihydropinosylvin methyl ether
T3008-01	Lawsone methyl ether