Tìm theo
Cholesterol
Thuốc Gốc
Small Molecule
CAS: 57-88-5
CTHH: C27H46O
PTK: 386.6535
The principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H46O
Phân tử khối
386.6535
Monoisotopic mass
386.354866094
InChI
InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25-,26-,27-/m1/s1
InChI Key
InChIKey=HVYWMOMLDIMFJA-MFYRMPRMSA-N
IUPAC Name
(1R,2S,5R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
Traditional IUPAC Name
cholesterol
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
Độ tan chảy
148.5 °C
Độ sôi
360 °C
Độ hòa tan
0.095 mg/L (at 30 °C)
logP
7.11
logS
-7.1
pKa (strongest acidic)
18.2
pKa (Strongest Basic)
-1.4
PSA
20.23 Å2
Refractivity
120.62 m3·mol-1
Polarizability
49.99 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04540
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46937002
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508234
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00187
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00040
ChemSpider
http://www.chemspider.com/Chemical-Structure.298.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=20192
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