Tìm theo
(1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Oc
Thuốc Gốc
Small Molecule
CTHH: C30H42O2
PTK: 434.6533
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C30H42O2
Phân tử khối
434.6533
Monoisotopic mass
434.318480588
InChI
InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1
InChI Key
InChIKey=FNAJVVMDXCOSFY-VFGOXHQXSA-N
IUPAC Name
(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
Traditional IUPAC Name
(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILES
OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C
Độ hòa tan
1.57e-03 g/l
logP
5.9
logS
-5.4
pKa (strongest acidic)
16.76
pKa (Strongest Basic)
-1.1
PSA
40.46 Å2
Refractivity
149.43 m3·mol-1
Polarizability
55.26 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02253
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5287502
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506703
ChemSpider
http://www.chemspider.com/Chemical-Structure.21239499.html
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