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(3Beta)-7-Dehydro Cholesterol-d7

CAT: 0572-TRC-D229457-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229457-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
388622-58-0
Synonyms
Cholesta-5,7-dien-25,26,26,26,27,27,27-d7-3-ol, (3β)-; (3β)-Cholesta-5,7-dien-25,26,26,26,27,27,27-d7-3-ol; (3β)-7-Dehydro cholesterol-d7; 7,8-Didehydrocholesterol-d7; 7,8-Didehydrocholesterol-25,26,26,26,27,27,27-D7; Provitamin D3-d7; Δ5,7-Cholestadien-3β-ol-25,26,27-d7; Δ7-Cholesterol-d7
Hazard Statement
May cause long lasting harmful effects to aquatic life
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
Molecular Formula
C27 2H7 H37 O
Molecular Weight
391.68
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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
Additionnal Information
IUPAC name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Dehydrocholesterol-d7
CAS Number388622-58-0
PubChem CID70699278
IUPAC Name(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H44O
Molecular Weight391.7
XLogP8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
InChIKey
UCTLRSWJYQTBFZ-UDEPUTHCSA-N
Chemical Structure
2D Structure
2D structure of 7-Dehydrocholesterol-d7
CAS: 388622-58-0
CID: 70699278
Formula: C27H44O
MW: 391.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass391.383153244
Monoisotopic Mass391.383153244
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count7
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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