Products for Research Use Only
RegisterLogin

22-Hydroxycholest-4-en-3-one

CAT: 0926-KCA88176-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-KCA88176-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
60881-76-7
Smiles
CC (C) CCC (C (C) C1CCC2C1 (CCC3C2CCC4=CC (=O) CCC34C) C) O
Molecular Formula
C27H44O2
Molecular Weight
400.6 g/mol
Controlled
No

Chemical Information

22-Hydroxycholest-4-en-3-one

structure given in first source; Rn given refers to (22R)-isomer; RN for compound without isomeric designation not available 12/90

CAS Number60881-76-7
PubChem CID6454080
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC27H44O2
Molecular Weight400.6
XLogP7
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]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)[C@@H](CCC(C)C)O
InChI
InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey
YXEUIHYGTAHPFF-JBZOCUGJSA-N
Chemical Structure
2D Structure
2D structure of 22-Hydroxycholest-4-en-3-one
CAS: 60881-76-7
CID: 6454080
Formula: C27H44O2
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
XLogP37
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

Related Products

CatalogName
SDA89711-014- (Phenylsulfanyl) but-3-en-2-one
FH42629-016-Hydroxystigmast-4-en-3-one
BAA2359717-Hydroxypregn-4-en-3-one
VAA76631-014- (3-Methoxyphenyl) but-3-en-2-one
UAA03994-014- (3,4,5-Trimethoxyphenyl) but-3-en-2-one
GBA29751-01Spiro[4.4]non-3-en-2-one
SAA64986-014,4-Bis (methylsulfanyl) but-3-en-2-one
LBA71675-014- (4-Chlorophenyl) cyclohex-3-en-1-one
FCA72232-01Stigmasta-4,22-dien-3-one
FS42628-01Stigmasta-4,22-dien-3-one

Alternative Products

CatalogName
421388-0122-Hydroxycholest-4-en-3-one
421431-0125-Hydroxycholest-4-en-3-one
TRC-H951033-100MG24-Hydroxycholest-4-en-3-one
HY-133967-01(25R) -26-Hydroxycholest-4-en-3-one
sc-489587(22S) -22-Hydroxycholest-5-en-3β-yl Acetate
MBS7042602-017-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase
E10332hELISA Kit For 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase
B14917-α-Hydroxycholest-4-en-3-one 12-α-Hydroxylase (CYP8B1) Mouse ELISA Kit
abx015143-017-Alpha-Hydroxycholest-4-En-3-One 12-Alpha-Hydroxylase (CYP8B1) Antibody
B14937-α-Hydroxycholest-4-en-3-one 12-α-Hydroxylase (CYP8B1) Rabbit ELISA Kit

Popular Products