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Cholesterol-d4

CAT: 0931-TMID-0226-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0226-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
956029-28-0
Target
Endogenous Metabolite, Estrogen Receptor/ERR
Related Pathways
Endocrinology/Hormones, Metabolism
Bioactivity
Cholesterol-d4 is a deuterated compound of Cholesterol. Cholesterol has a CAS number of 57-88-5. Cholesterol is the primary sterol in mammals. The significance of Cholesterol is becoming more appreciated in fundamental cellular processes.
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C([2H])([2H])[2H])(C)[2H])C)[H])[H]
Molecular Formula
C27H42D4O
Molecular Weight
390.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3beta)-(25,26,26,26-~2~H_4_)Cholest-5-en-3-ol
CAS Number956029-28-0
PubChem CID71314810
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H46O
Molecular Weight390.7
XLogP8.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity591
SMILES
[2H]C([2H])([2H])C([2H])(C)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](C4)O)C)C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,18D/t18?,19-,21+,22+,23-,24+,25+,26+,27-
InChIKey
HVYWMOMLDIMFJA-CRNPSRDESA-N
Chemical Structure
2D Structure
2D structure of (3beta)-(25,26,26,26-~2~H_4_)Cholest-5-en-3-ol
CAS: 956029-28-0
CID: 71314810
Formula: C27H46O
MW: 390.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.7
XLogP38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass390.379973070
Monoisotopic Mass390.379973070
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity591
Isotope Atom Count4
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
006798Cholesterol-d4
sc-49129427-Hydroxy-7-keto Cholesterol-d4
0135624β-Hydroxy Cholesterol-d4 (Major) discontinued
TRC-C178527-50MG27-Carboxy-7-keto Cholesterol-d4
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C0168Cholesterol

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