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Estradiol (cypionate)

CAT: 0127-BUP17759-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17759-01Size:200 mg
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CAS Number
313-06-4
Synonyms
Depofemin, Estradiol cypionate
Purity
=98%
Smiles
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@H]2OC(=O)CCC1CCCC1

Chemical Information

Estradiol Cypionate

Estradiol 17beta-cyclopentylpropionate is a steroid ester.

CAS Number313-06-4
PubChem CID9403
IUPAC Name[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
Molecular FormulaC26H36O3
Molecular Weight396.6
XLogP7.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity597
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O
InChI
InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1
InChIKey
UOACKFBJUYNSLK-XRKIENNPSA-N
Chemical Structure
2D Structure
2D structure of Estradiol Cypionate
CAS: 313-06-4
CID: 9403
Formula: C26H36O3
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass396.26644501
Monoisotopic Mass396.26644501
Topological Polar Surface Area46.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity597
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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