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Cholesterol-D4

CAT: 1299-RM-H041857-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H041857-01Size:10 mg
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CAS Number
956029-28-0
Synonyms
(3S,8S,9S,10R,13R,14S,17R) -10,13-dimethyl-17- ((2R) -6-methylheptan-2-yl-6,7,7,7-d4) -2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C27H42D4O
Molecular Weight
390.69
Target Alternative Name
Cholesterol
Product Name Synonym
(3S,8S,9S,10R,13R,14S,17R) -10,13-dimethyl-17- ((2R) -6-methylheptan-2-yl-6,7,7,7-d4) -2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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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