Products for Research Use Only
RegisterLogin

Deoxycholic acid Impurity 42

CAT: 1299-RM-D221042-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-D221042-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13002-75-0
Synonyms
Methyl (R) -4- ((3R,5R,8S,10S,12S,13R,14S,17R) -3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanoate
Molecular Formula
C25H40O4
Molecular Weight
404.59
Target Alternative Name
Deoxycholic acid
Product Name Synonym
Methyl (R) -4- ((3R,5R,8S,10S,12S,13R,14S,17R) -3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanoate

Chemical Information

Deoxycholic Acid Impurity 42
CAS Number13002-75-0
PubChem CID176489049
IUPAC Namemethyl (4R)-4-[(3R,5R,8S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC25H40O4
Molecular Weight404.6
XLogP4.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h14-20,22,26-27H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20+,22+,24+,25-/m1/s1
InChIKey
YCHBCKMIBYKIDM-IDUATZGXSA-N
Chemical Structure
2D Structure
2D structure of Deoxycholic Acid Impurity 42
CAS: 13002-75-0
CID: 176489049
Formula: C25H40O4
MW: 404.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass404.29265975
Monoisotopic Mass404.29265975
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-D221037-01Deoxycholic acid Impurity 37
RM-D221015-01Deoxycholic Acid Impurity 15
RM-D221075-01Deoxycholic Acid Impurity 81
RM-U190468-01Deoxycholic Acid Impurity 68
RM-U190467-01Deoxycholic Acid Impurity 67
RM-D221056-01Deoxycholic Acid Impurity 56
RM-D221058-01Deoxycholic Acid Impurity 58
RM-D221006-01Deoxycholic Acid Impurity 6
RM-D221063-01Deoxycholic Acid Impurity 63
RM-D221046-01Deoxycholic Acid Impurity 46

Alternative Products

CatalogName
N1669-5.1Deoxycholic acid

Popular Products