Products for Research Use Only
RegisterLogin

Obeticholic Acid Impurity G

CAT: 1299-RM-O022007-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-O022007-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
865244-30-0
Synonyms
(R) -4- ((3R,5S,6R,7S,8S,9S,10S,13R,14S,17R) -6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanoic acid
Molecular Formula
C26H44O4
Molecular Weight
420.63
Target Alternative Name
Obeticholic Acid
Product Name Synonym
(R) -4- ((3R,5S,6R,7S,8S,9S,10S,13R,14S,17R) -6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanoic acid

Chemical Information

(R)-4-((3R,5S,6R,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS Number865244-30-0
PubChem CID11281589
IUPAC Name(4R)-4-[(3R,5S,6R,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular FormulaC26H44O4
Molecular Weight420.6
XLogP5.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity649
SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
InChI
InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24+,25-,26-/m1/s1
InChIKey
ZXERDUOLZKYMJM-BQSOCLIVSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-((3R,5S,6R,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS: 865244-30-0
CID: 11281589
Formula: C26H44O4
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass420.32395988
Monoisotopic Mass420.32395988
Topological Polar Surface Area77.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-O022010-01Obeticholic Acid Impurity J
RM-O022009-01Obeticholic Acid Impurity I
RM-O022005-01Obeticholic Acid Impurity E
RM-O022058-01Obeticholic Acid Impurity 58
RM-O022055-01Obeticholic Acid Impurity 55
RM-O022038-01Obeticholic Acid Impurity 38
RM-O022015-01Obeticholic Acid Impurity O
RM-O022018-01Obeticholic Acid Impurity R
RM-O022049-01Obeticholic Acid Impurity 49
RM-O022051-01Obeticholic Acid Impurity 51

Alternative Products

CatalogName
AR-C02689-01Obeticholic Acid Impurity 15
AR-C02709-01Obeticholic Acid Impurity 17
AR-C02686-01Obeticholic Acid Impurity 12
AR-C02685-01Obeticholic Acid Impurity 11
AR-C02684-01Obeticholic Acid Impurity 10
AR-C02675-01Obeticholic Acid Impurity 8
AR-C02673-01Obeticholic Acid Impurity 6
AR-C02691-01Obeticholic Acid Impurity 16
AR-C02666-01Obeticholic Acid Impurity 4
AR-C02688-01Obeticholic Acid Impurity 14

Popular Products