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5alpha,6alpha-Epoxycholestanol-d7

CAT: 0572-TRC-E589122-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E589122-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127685-38-5
Synonyms
5alpha,6alpha-Epoxycholestanol-d7; Cholestan-25,26,26,26,27,27,27-d7-3-ol, 5,6-epoxy-, (3β,5α,6α)- (9CI); 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, cholestan-25,26,26,26,27,27,27-d7-3-ol deriv.; Cholesterol-25,26,27-d7 5α,6α-epoxide; Cholesterol-25,26,26,26,27,27,27-D7 5α,6α-epoxide
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])(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)C([2H])([2H])[2H]
Molecular Formula
C27 D7 H39 O2
Molecular Weight
409.696
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/i1D3,2D3,17D
Shipping Conditions
Room Temperature

Chemical Information

5alpha,6alpha-Epoxycholestanol-d7
CAS Number127685-38-5
PubChem CID3247053
IUPAC Name(1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
Molecular FormulaC27H46O2
Molecular Weight409.7
XLogP8
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity630
SMILES
[2H]C([2H])([2H])C([2H])(CCC[C@@H](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)C([2H])([2H])[2H]
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/i1D3,2D3,17D
InChIKey
PRYIJAGAEJZDBO-BXAOGQKHSA-N
Chemical Structure
2D Structure
2D structure of 5alpha,6alpha-Epoxycholestanol-d7
CAS: 127685-38-5
CID: 3247053
Formula: C27H46O2
MW: 409.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass409.393717927
Monoisotopic Mass409.393717927
Topological Polar Surface Area32.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity630
Isotope Atom Count7
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
CFA68538-015α,6α-Epoxycholestanol-d7
HY-146776S5β,6β-Epoxycholestanol-d7
444468-01Cholesterol 5alpha,6alpha-epoxide
MBS57972035alpha,6alpha-epoxy Cholestanol
MBS6014896-015alpha-Bromo-6,19-epoxycholestanol 3-Acetate
MBS3920086-015alpha,6beta-Dihydroxycholestanol-d7
HY-78766-013beta,6alpha,17beta-Trihydroxy-5alpha-androstane
MBS6030669-013beta,5alpha,6beta-Trihydroxycholestane-d7
MBS3844568-015alpha-Pregnane-3beta, 6alpha-diol-20-one
MBS57542345alpha-Pregnane-3beta,6alpha-diol-20-one

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