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Epicoprostanol (Standard)

CAT: 0804-HY-W127498RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W127498RSize:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Epicoprostanol (Standard) is the analytical standard of Epicoprostanol. This product is intended for research and analytical applications. Epicoprostanol is the compound found in adipocere[1].
CAS Number
516-92-7
Product Name Alternative
5β-Cholestan-3α-ol (Standard)
UNSPSC
12352211
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epicoprostanol-standard.html
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Molecular Formula
C27H48O
Molecular Weight
388.67
References & Citations
[1]Adachi J, et al. Epicoprostanol found in adipocere from five human autopsies. Lipids. 1997;32 (11) :1155-1160.|[2]Na Yang, et al. HMPL-523, a Novel SYK Inhibitor, Showed Anti-tumor Activities in Vitro and in Vivo.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Epicoprostanol

Epi-coprostanol is a cholestanoid.

CAS Number516-92-7
PubChem CID91465
IUPAC Name(3R,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-KKFSNPNRSA-N
Chemical Structure
2D Structure
2D structure of Epicoprostanol
CAS: 516-92-7
CID: 91465
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

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