Cas no 1981-90-4 (Cholestan-3-ol; (3β,5α)-form, Me ether)
1981-90-4 structure
Product Name:Cholestan-3-ol; (3β,5α)-form, Me ether
CAS No:1981-90-4
MF:C28H50O
MW:402.696009159088
CID:2656742
PubChem ID:10862322
Update Time:2025-04-21
Cholestan-3-ol; (3β,5α)-form, Me ether Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5α-cholestan-3β-yl ether
- Methyl 5alpha-cholestan-3beta-yl ether
- 1981-90-4
- SCHEMBL23282987
- Cholestan-3.beta.-ol methyl ether
- 5.alpha.-Cholestane, 3.beta.-methoxy-
- Cholestane, 3-methoxy-, (3.beta.,5.alpha.)-
- FMSSVYNONQQPON-PGAJIAHISA-N
- 3.beta.-Methoxy-5.alpha.-cholestane
- 3-Methoxycholestane #
- Cholestanol methyl ester
- (3S,5S,8R,9S,10S,13R,14S,17R)-3-methoxy-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]phenanthrene
- Cholestan-3-ol; (3β,5α)-form, Me ether
-
- Inchi： 1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
- InChI Key： FMSSVYNONQQPON-PGAJIAHISA-N
- SMILES： O(C)[C@H]1CC[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 402.386166214g/mol
- Monoisotopic Mass: 402.386166214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 555
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.9
- Topological Polar Surface Area: 9.2?2
Cholestan-3-ol; (3β,5α)-form, Me ether Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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