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Cholesterol 5Alpha,6Alpha-Epoxide

CAT: 0572-TRC-C432528-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C432528-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1250-95-9
Synonyms
Cholestan-3-ol, 5,6-epoxy-, (3β,5α,6α)-; 5α-Cholestan-3β-ol, 5,6α-epoxy- (6CI,7CI,8CI); (3β,5α,6α)-5,6-Epoxycholestan-3-ol; 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, cholestan-3-ol deriv.; 3β-Hydroxy-5,6α-epoxy-5α-cholestane; 3β-Hydroxycholestane 5α,6α-epoxide; 5,6α-Epoxy-5α-cholestan-3β-ol; 5,6α-Epoxycholesterol; 5α,6α-Epoxycholestan-3β-ol; 5α,6α-Epoxycholestanol; 5α,6α-Epoxycholesterol; 5α-Epoxycholesterol; Cholesterol 5α,6α-epoxide; Cholesterol 5α,6α-oxide; Cholesterol α-epoxide; Cholesterol α-oxide; NSC 18176
Hazard Statement
Not a hazardous substance according to GHS.
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
Molecular Formula
C27 H46 O2
Molecular Weight
402.65
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5alpha,6alpha-Epoxycholesterol

5,6alpha-epoxy-5alpha-cholestan-3beta-ol is a 5,6-epoxycholesterol. It derives from a hydride of a 5alpha-cholestane.

CAS Number1250-95-9
PubChem CID227037
IUPAC Name(1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
Molecular FormulaC27H46O2
Molecular Weight402.7
XLogP8
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity630
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
InChIKey
PRYIJAGAEJZDBO-ZEQHCUNVSA-N
Chemical Structure
2D Structure
2D structure of 5alpha,6alpha-Epoxycholesterol
CAS: 1250-95-9
CID: 227037
Formula: C27H46O2
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass402.349780706
Monoisotopic Mass402.349780706
Topological Polar Surface Area32.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
444468-01Cholesterol 5alpha,6alpha-epoxide
MBS57972066alpha-hydroxy Cholesterol
T35973-01Cholesterol-5α,6α-epoxide
sc-214688Cholesterol 5β,6β-epoxide
OR1023860-01Cholesterol 5a,6a-epoxide
444469-01Cholesterol 5beta,6beta-Epoxide
sc-214687Cholesterol 5α,6α-epoxide
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437396-015alpha-hydroxy-6-keto Cholesterol
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