Cas no 70778-53-9 ((3beta)-25-methylcholest-5-ene-3,22-diol)
70778-53-9 structure
Product Name:(3beta)-25-methylcholest-5-ene-3,22-diol
CAS No:70778-53-9
MF:C28H48O2
MW:416.679529190063
CID:1746595
PubChem ID:191958
Update Time:2025-04-21
(3beta)-25-methylcholest-5-ene-3,22-diol Chemical and Physical Properties
Names and Identifiers
-
- (3beta)-25-methylcholest-5-ene-3,22-diol
- cholest-5-ene-3,22-diol, 25-methyl-, (3beta)-
- 2-(3-methylbutan-2-yl)anthracene-9,10-dione
- (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- SCHEMBL11244070
- SC-31448
- 70778-53-9
- DTXSID40991044
- 25-Methylcholest-5-ene-3,22-diol
- 22-Hydroxy-25-methylcholesterol
- SC 31448
-
- Inchi： 1S/C28H48O2/c1-18(25(30)13-14-26(2,3)4)22-9-10-23-21-8-7-19-17-20(29)11-15-27(19,5)24(21)12-16-28(22,23)6/h7,18,20-25,29-30H,8-17H2,1-6H3/t18-,20-,21-,22+,23-,24-,25?,27-,28+/m0/s1
- InChI Key： SWBPHHNEYRLOHW-GLWMUCOJSA-N
- SMILES： OC(CCC(C)(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 416.36564
- Monoisotopic Mass: 416.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 660
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
(3beta)-25-methylcholest-5-ene-3,22-diol Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxy bile acids, alcohols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Hydroxy bile acids, alcohols and derivatives
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