Tìm theo
Ergosterol
Thuốc Gốc
Small Molecule
CAS: 57-87-4
CTHH: C28H44O
PTK: 396.6484
A steroid of interest both because its biosynthesis in FUNGI is a target of ANTIFUNGAL AGENTS, notably AZOLES, and because when it is present in SKIN of animals, ULTRAVIOLET RAYS break a bond to result in ERGOCALCIFEROL. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C28H44O
Phân tử khối
396.6484
Monoisotopic mass
396.33921603
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22+,24+,25+,26-,27+,28+/m1/s1
InChI Key
InChIKey=DNVPQKQSNYMLRS-SOWFXMKYSA-N
IUPAC Name
(1R,2R,5S,11R,14S,15S)-14-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol
Traditional IUPAC Name
ergosterol
SMILES
CC(C)[C@H](C)\C=C\[C@@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C
Độ tan chảy
170 °C
Độ hòa tan
1.56e-04 g/l
logP
6.63
logS
-6.4
pKa (strongest acidic)
18.27
pKa (Strongest Basic)
-1.4
PSA
20.23 Å2
Refractivity
127.13 m3·mol-1
Polarizability
49.84 Å3
Rotatable Bond Count
4
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/DB04038
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936866
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505947
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01694
ChemSpider
http://www.chemspider.com/Chemical-Structure.216841.html
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