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(20R)-17alpha,20-Dihydroxycholesterol

CAT: 0572-TRC-D450180-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D450180-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17913-42-7
Synonyms
(3β,20R)-Cholest-5-ene-3,17,20-triol; (20R)-Cholest-5-ene-3β,17,20-triol;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C27H46O3
Molecular Weight
418.65
InChI
InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26+,27+/m0/s1
Additionnal Information
IUPAC name: (3S,8R,9S,10R,13S,14S,17R)-17-[(1R)-1-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(20R)-17alpha,20-dihydroxycholesterol

(20R)-17alpha,20-dihydroxycholesterol is an oxysterol that is cholesterol substituted by hydroxy groups at positions 17 and 20 (the 20R-stereoisomer). It has a role as a mouse metabolite and a human metabolite. It is a C27-steroid, a 3beta-hydroxy-Delta(5)-steroid, a 17alpha-hydroxy steroid, a 20-hydroxy steroid and an oxysterol. It is functionally related to a cholesterol.

CAS Number17913-42-7
PubChem CID5460687
IUPAC Name(3S,8R,9S,10R,13S,14S,17R)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC27H46O3
Molecular Weight418.7
XLogP5.3
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity686
SMILES
CC(C)CCC[C@](C)([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)O
InChI
InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26+,27+/m0/s1
InChIKey
PRZXKPDANWDCNC-IBQHSZKZSA-N
Chemical Structure
2D Structure
2D structure of (20R)-17alpha,20-dihydroxycholesterol
CAS: 17913-42-7
CID: 5460687
Formula: C27H46O3
MW: 418.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass418.34469533
Monoisotopic Mass418.34469533
Topological Polar Surface Area60.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
160102(20R) -17α,20-Dihydroxycholesterol
160103(20R) -17α,20-Dihydroxycholesterol-d7
HY-13717820α,22R-Dihydroxycholesterol
FD2205120,22-Dihydroxycholesterol
MBS3920447-01(20R,22R)-20,22-dihydroxy Cholesterol
HY-N104937β,25-Dihydroxycholesterol
MBS58174347beta,25-Dihydroxycholesterol
M22488-017α,25-Dihydroxycholesterol
GTR19277942-01(20R) -18,20-Epoxydigitoxigenin-alpha-L-thevetoside
FP66511-015alpha-Pregnan-3beta,17alpha-diol-20-one

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