Estradiol Valerate Impurity 27

CAT: 1299-RM-E191827-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E191827-01Size:10 mg

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CAS Number

1089-80-1

Synonyms

(8S,13S,14S) -3-hydroxy-13-methyl-6,7,8,12,13,14,15,16-octahydro-17H-cyclopenta[a]phenanthren-17-one

Molecular Formula

C18H20O2

Molecular Weight

268.36

Target Alternative Name

Estradiol Valerate

Product Name Synonym

(8S,13S,14S) -3-hydroxy-13-methyl-6,7,8,12,13,14,15,16-octahydro-17H-cyclopenta[a]phenanthren-17-one

Chemical Information

3-Hydroxy-estra-1,3,5(10),9(11)-tetraen-17-one

CAS Number	1089-80-1
PubChem CID	10890881
IUPAC Name	(8S,13S,14S)-3-hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular Formula	C18H20O2
Molecular Weight	268.3
XLogP	3
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	466

SMILES

C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-16,19H,2,4,6-7,9H2,1H3/t15-,16+,18+/m1/s1

InChIKey

SONVSJYKHAWLHA-RYRKJORJSA-N

Chemical Structure

2D Structure

CAS: 1089-80-1

CID: 10890881

Formula: C18H20O2

MW: 268.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.3
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	268.146329876
Monoisotopic Mass	268.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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-E191851-01	Estradiol Valerate Impurity 1 (17-Epi Estradiol Valerate)
RM-E191832-01	Estradiol Valerate Impurity 32
RM-E191830-01	Estradiol Valerate Impurity 30
RM-E191833-01	Estradiol Valerate Impurity 33
RM-E191828-01	Estradiol Valerate Impurity 28
RM-E191831-01	Estradiol Valerate Impurity 31
RM-E191834-01	Estradiol Valerate Impurity 34
RM-E191814-01	Estradiol Valerate EP Impurity D (4-Methyl Estradiol Valerate)
RM-E191817-01	Estradiol Valerate EP Impurity G (6-Dehydro Estradiol 17-Valerate)
RM-E191812-01	Estradiol Valerate EP Impurity B

Catalog	Name
TRC-E888865-50MG	Estradiol Valerate Impurity I
448483-01	Estradiol Valerate Impurity J
AR-E01916-01	Estradiol Valerate EP Impurity H
AR-E01856-01	Estradiol Valerate EP Impurity F
AR-E01924-01	Estradiol Valerate EP Impurity I
AR-E01871-01	Estradiol Valerate EP Impurity C
AR-E01932-01	Estradiol Valerate EP Impurity J
AR-E01860-01	Estradiol Valerate EP Impurity B
AR-E01883-01	Estradiol Valerate EP Impurity E
AR-E10458-01	Estradiol-13C2-d2 (Estradiol Valerate EP Impurity A-13C2-d2, Estriol EP Impurity D-13C2-d2, Ethinylestradiol EP Impurity D-13C2-d2)