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Estradiol Valerate EP Impurity B

CAT: 1299-RM-E191812-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E191812-01Size:10 mg
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CAS Number
21881-45-8
Synonyms
(8R,9S,13S,14S,17S) -17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl pentanoate
Molecular Formula
C23H32O3
Molecular Weight
356.5
Target Alternative Name
Estradiol
Product Name Synonym
(8R,9S,13S,14S,17S) -17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl pentanoate

Chemical Information

Estradiol 3-valerate
CAS Number21881-45-8
PubChem CID14653378
IUPAC Name[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] pentanoate
Molecular FormulaC23H32O3
Molecular Weight356.5
XLogP4.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
CCCCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-16-7-9-17-15(14-16)6-8-19-18(17)12-13-23(2)20(19)10-11-21(23)24/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
InChIKey
IFDPLCRWEBQEAJ-RBRWEJTLSA-N
Chemical Structure
2D Structure
2D structure of Estradiol 3-valerate
CAS: 21881-45-8
CID: 14653378
Formula: C23H32O3
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass356.23514488
Monoisotopic Mass356.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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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Alternative Products

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

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