Products for Research Use Only
RegisterLogin

Coprostanol

CAT: 0607-BA7667-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA7667-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
360-68-9
Form
A solid
Molecular Formula
C27H48O
Molecular Weight
388.67
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Coprostanol

Coprostanol is a member of the class of phytosterols that is 5beta-cholestane carrying a hydroxy substituent at the 3beta-position. It has a role as a plant metabolite, an environmental contaminant and a human urinary metabolite. It is a member of phytosterols, a 3-hydroxy steroid and a cholestanoid. It derives from a hydride of a 5beta-cholestane.

CAS Number360-68-9
PubChem CID221122
IUPAC Name(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H48O
Molecular Weight388.7
XLogP9.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity540
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QYIXCDOBOSTCEI-NWKZBHTNSA-N
Chemical Structure
2D Structure
2D structure of Coprostanol
CAS: 360-68-9
CID: 221122
Formula: C27H48O
MW: 388.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.7
XLogP39.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass388.370516150
Monoisotopic Mass388.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity540
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

Alternative Products

CatalogName
HY-118103-01Coprostanol
HY-118103RCoprostanol (Standard)
HY-118103SCoprostanol-d5
AR-C07315-01Epi-Coprostanol

Popular Products