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17a-Hydroxypregnenolone

CAT: 0607-BA7433-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7433-50Size:50 mg
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CAS Number
387-79-1
Form
A solid
Molecular Formula
C21H32O3
Molecular Weight
332.48
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

17-Hydroxypregnenolone

17alpha-hydroxypregnenolone is a hydroxypregnenolone carrying an alpha-hydroxy group at position 17. It has a role as a mouse metabolite and a human metabolite. It is a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone, a 3beta-hydroxy-Delta(5)-steroid, a 17alpha-hydroxy steroid and a hydroxypregnenolone.

CAS Number387-79-1
PubChem CID91451
IUPAC Name1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP3.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity596
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI
InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
JERGUCIJOXJXHF-TVWVXWENSA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxypregnenolone
CAS: 387-79-1
CID: 91451
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity596
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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