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Desmosterol-d6

CAT: 0572-TRC-D296862-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D296862-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246298-67-8
Synonyms
Cholesta-5,24-dien-26,26,26,27,27,27-d6-3-ol, (3β)-; (3β)-Cholesta-5,24-dien-26,26,26,27,27,27-d6-3-ol; Desmosterol-d6; Desmosterol-26,27-d6; Desmosterol-D6 (26,26,26,27,27,27-D6); 24,25-Dehydrocholesterol-26,27-d6; 24-Dehydrocholesterol-d6
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
Molecular Formula
C27 2H6 H38 O
Molecular Weight
390.67
InChI
InChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3
Additionnal Information
IUPAC name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Desmosterol-d6
CAS Number1246298-67-8
PubChem CID5314026
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H44O
Molecular Weight390.7
XLogP8.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity641
SMILES
[2H]C([2H])([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)C([2H])([2H])[2H]
InChI
InChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3
InChIKey
AVSXSVCZWQODGV-QSOBUISFSA-N
Chemical Structure
2D Structure
2D structure of Desmosterol-d6
CAS: 1246298-67-8
CID: 5314026
Formula: C27H44O
MW: 390.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.7
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass390.376876498
Monoisotopic Mass390.376876498
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity641
Isotope Atom Count6
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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