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4β-Hydroxy Cholesterol-d7 4-Acetate

CAT: 0024-sc-489586Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-489586Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1363529-54-7

Chemical Information

[(3S,4R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
CAS Number1363529-54-7
PubChem CID57332370
IUPAC Name[(3S,4R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Molecular FormulaC29H48O3
Molecular Weight451.7
XLogP8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity726
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]2CC=C4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)O)C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h11,18-19,21-24,26-27,31H,7-10,12-17H2,1-6H3/t19-,21+,22-,23+,24+,26+,27-,28-,29-/m1/s1/i1D3,2D3,18D
InChIKey
CPAJTVKFJMIGFR-XOBJRHKLSA-N
Chemical Structure
2D Structure
2D structure of [(3S,4R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
CAS: 1363529-54-7
CID: 57332370
Formula: C29H48O3
MW: 451.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass451.40428261
Monoisotopic Mass451.40428261
Topological Polar Surface Area46.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity726
Isotope Atom Count7
Defined Atom Stereocenter Count9
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
0135644β-Hydroxy Cholesterol-d7 4-Acetate
CS-T-787224-Beta-Hydroxy Cholesterol-d7 4-Acetate
AR-C07343-014-beta-Hydroxy Cholesterol 4-Acetate-d7
TRC-H917987-1MG4beta-Hydroxy Cholesterol-d7 4-Acetate
0135614β-Hydroxy Cholesterol-d7
FH23949-014β-Hydroxy cholesterol 4-acetate
AR-C02590-014-beta-Hydroxy Cholesterol-d7
AR-C07323-014-beta-Hydroxy Cholesterol 4-Acetate
TRC-H917985-5MG4Beta-Hydroxy Cholesterol 4-Acetate
279051-014b-Hydroxy cholesterol 4-acetate

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