Cas no 25269-18-5 (Cholestane, (20S)-)
Cholestane, (20S)- structure
Product Name:Cholestane, (20S)-
CAS No:25269-18-5
MF:C27H48
MW:372.670028686523
CID:264397
PubChem ID:71358742
Update Time:2025-04-19
Cholestane, (20S)- Chemical and Physical Properties
Names and Identifiers
-
- Cholestane, (20S)-
- 20a-Cholestane (8CI)
- 20-Isocholestane
- DTXSID70782700
- (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
- 25269-18-5
-
- Inchi: 1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22-,23+,24-,25-,26-,27+/m0/s1
- InChI Key: XIIAYQZJNBULGD-XMUXRCGESA-N
- SMILES: [C@]12(C)CC[C@@H]3[C@@]4(C)CCCCC4CC[C@H]3[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)C
Computed Properties
- Exact Mass: 372.37584
- Monoisotopic Mass: 372.375601531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 506
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Cholestane, (20S)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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