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7-Keto Cholesterol (~98%)

CAT: 0572-TRC-K185050-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K185050-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
566-28-9
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@H](O)CC4=CC3=O
Molecular Formula
C27 H44 O2
Molecular Weight
400.64
InChI
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
Additionnal Information
IUPAC name: (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

7-Ketocholesterol

7-ketocholesterol is a cholestanoid that consists of cholesterol bearing an oxo substituent at position 7. It has a role as a neuroprotective agent. It is a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol, a 7-oxo steroid and a cholestanoid. It is functionally related to a cholesterol.

CAS Number566-28-9
PubChem CID91474
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Molecular FormulaC27H44O2
Molecular Weight400.6
XLogP7.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity663
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey
YIKKMWSQVKJCOP-ABXCMAEBSA-N
Chemical Structure
2D Structure
2D structure of 7-Ketocholesterol
CAS: 566-28-9
CID: 91474
Formula: C27H44O2
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass400.334130642
Monoisotopic Mass400.334130642
Topological Polar Surface Area37.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity663
Isotope Atom Count0
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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281075-017-Keto Cholesterol
AR-C02607-017-Keto-Cholesterol
HY-113342S7-Keto Cholesterol-d7
T85249-017-keto-25-hydroxy Cholesterol
267945-0127-Carboxy-7-keto cholesterol
FH2429227-Hydroxy-7-keto cholesterol
279361-0127-Hydroxy-7-keto cholesterol discontinued
sc-49129427-Hydroxy-7-keto Cholesterol-d4
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