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21-Hydroxypregnenolone 2mg

CAT: 0628-A18964-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A18964-2Size:2 mg
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CAS Number
1164-98-3

Chemical Information

21-Hydroxypregnenolone

21-hydroxypregnenolone is a hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21. It has a role as a mouse metabolite. It is a primary alpha-hydroxy ketone, a 21-hydroxy steroid and a hydroxypregnenolone.

CAS Number1164-98-3
PubChem CID247020
IUPAC Name2-hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP3.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity567
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey
MOIQRAOBRXUWGN-WPWXJNKXSA-N
Chemical Structure
2D Structure
2D structure of 21-Hydroxypregnenolone
CAS: 1164-98-3
CID: 247020
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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