Cas no 55700-37-3 (Cholestan-1-one)
Cholestan-1-one structure
Product Name:Cholestan-1-one
CAS No:55700-37-3
MF:C27H46O
MW:386.653548717499
CID:351126
PubChem ID:22296692
Update Time:2025-04-19
Cholestan-1-one Chemical and Physical Properties
Names and Identifiers
-
- Cholestan-1-one
- (8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
- 55700-37-3
- SCHEMBL3822907
- DTXSID40624507
-
- Inchi： 1S/C27H46O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,26-,27+/m1/s1
- InChI Key： YZAKUXKVXMKKGC-LQJGYYSOSA-N
- SMILES： O=C1CCCC2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]43)[C@]21C
Computed Properties
- Exact Mass: 386.35508
- Monoisotopic Mass: 386.354866087g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 579
- 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: 9.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cholestan-1-one Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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