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Ent-DHEA

CAT: 0013-GTR19268421-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268421-02Size:50 mg
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Description
Ent-DHEA is the enantiomer of DHEA. DHEA (Prasterone) is one of the most abundant steroid hormones.
CAS Number
210700-55-3
Field of Research
Immunology & Inflammation
Smiles
C[C@]12[C@]3 ([C@@] ([C@@]4 ([C@@] (C) (CC3) C (=O) CC4) [H]) (CC=C1C[C@H] (O) CC2) [H]) [H]
Molecular Formula
C19H28O2
Molecular Weight
288.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3R,8S,9R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS Number210700-55-3
PubChem CID10541387
IUPAC Name(3R,8S,9R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC19H28O2
Molecular Weight288.4
XLogP3.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity508
SMILES
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CC=C4[C@]3(CC[C@H](C4)O)C
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m1/s1
InChIKey
FMGSKLZLMKYGDP-FLDBGCDGSA-N
Chemical Structure
2D Structure
2D structure of (3R,8S,9R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS: 210700-55-3
CID: 10541387
Formula: C19H28O2
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass288.208930132
Monoisotopic Mass288.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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