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24-Methylenecholoesterol

CAT: 1134-ESS0130-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0130-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474-63-5
Structure Composition
C 84.36% H 11.63% O 4.01%
Synonyms
24-Methylenecholesterol, Chalinasterol Ostreasterol, Cholesterol, 24-methylene- UNII-SJ0718OYKX
UDF Signal Word
NONE
Hazard Statement
Not dangerous goods.
Applications
A natural sterol
Molecular Formula
C28H46O
Molecular Weight
398.67822
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

24-Methylenecholesterol

24-methylenecholesterol is a 3beta-sterol having the structure of cholesterol with a methylene group at C-24. It has a role as a mouse metabolite. It is a 3beta-hydroxy-Delta(5)-steroid and a 3beta-sterol. It is functionally related to a cholesterol.

CAS Number474-63-5
PubChem CID92113
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H46O
Molecular Weight398.7
XLogP8.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
C[C@H](CCC(=C)C(C)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/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey
INDVLXYUCBVVKW-PXBBAZSNSA-N
Chemical Structure
2D Structure
2D structure of 24-Methylenecholesterol
CAS: 474-63-5
CID: 92113
Formula: C28H46O
MW: 398.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.7
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass398.354866087
Monoisotopic Mass398.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
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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