Cas no 26130-75-6 ((22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestane-6-one)
26130-75-6 structure
Product Name:(22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestane-6-one
CAS No:26130-75-6
MF:C27H46O5
MW:450.651149272919
CID:280933
Update Time:2024-02-29
(22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestane-6-one Chemical and Physical Properties
Names and Identifiers
-
- Cholestan-6-one,2,3,14,22-tetrahydroxy-, (2b,3b,5b,22R)-
- (22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestane-6-one
- 5b-Cholestan-6-one, 2b,3b,14,22-tetrahydroxy-, (20S,22R)- (8CI)
- Cheilanthone B
- CID 101297732
- (22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestan-6-one
- Cholestan-6-one, 2,3,14,22-tetrahydroxy-, (2β,3β,5β,22R)-
-
- Inchi： 1S/C27H46O5/c1-15(2)6-7-21(28)16(3)17-9-11-27(32)19-12-22(29)20-13-23(30)24(31)14-25(20,4)18(19)8-10-26(17,27)5/h15-21,23-24,28,30-32H,6-14H2,1-5H3/t16-,17+,18-,19+,20-,21+,23+,24-,25+,26+,27+/m0/s1
- InChI Key： ZQJLJTBAWSHGIA-XHCKOWILSA-N
- SMILES： O[C@@]12CC[C@H]([C@H](C)[C@@H](CCC(C)C)O)[C@@]1(C)CC[C@@H]1[C@@]3(C)C[C@@H]([C@@H](C[C@H]3C(C[C@@H]21)=O)O)O
Computed Properties
- Exact Mass: 450.335
- Monoisotopic Mass: 450.335
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 723
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98
(22R)-2β,3β,14,22-Tetrahydroxy-5β-cholestane-6-one Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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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