Cas no 20997-65-3 (5alpha-Cholestan-3alpha-ol, 4alpha-methyl-, acetate)
20997-65-3 structure
Product Name:5alpha-Cholestan-3alpha-ol, 4alpha-methyl-, acetate
CAS No:20997-65-3
MF:C30H52O2
MW:444.732689857483
CID:2656767
Update Time:2023-08-06
5alpha-Cholestan-3alpha-ol, 4alpha-methyl-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 4α-Methyl-5α-cholestan-3α-ol acetate
- 5.alpha.-Cholestan-3.alpha.-ol, 4.alpha.-methyl-, acetate
- WHFNJZOJPBXDDI-PHRZRKKCSA-N
- 4alpha-Methyl-5alpha-cholestan-3alpha-ol acetate
- 4-Methylcholestan-3-yl acetate, (3.alpha.,4.alpha.,5.alpha.)-
- 5alpha-Cholestan-3alpha-ol, 4alpha-methyl-, acetate
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- Inchi： 1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,23-28H,8-18H2,1-7H3/t20-,21+,23+,24-,25+,26+,27+,28-,29-,30+/m1/s1
- InChI Key： WHFNJZOJPBXDDI-PHRZRKKCSA-N
- SMILES： O(C(C)=O)[C@@H]1CC[C@@]2(C)[C@H]([C@@H]1C)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12
Computed Properties
- Exact Mass: 444.397
- Monoisotopic Mass: 444.397
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- Complexity: 670
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
5alpha-Cholestan-3alpha-ol, 4alpha-methyl-, acetate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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