Cas no 64003-50-5 (Salinomycin, 20-deoxy-)
Salinomycin, 20-deoxy- structure
Product Name:Salinomycin, 20-deoxy-
CAS No:64003-50-5
MF:C42H70O10
MW:734.9992146492
CID:515020
PubChem ID:198464
Update Time:2025-04-19
Salinomycin, 20-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- Salinomycin, 20-deoxy-
- 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5<sup>7</sup>.3<sup>5</sup>]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butano
- 20-Deoxysalinomycin
- 2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5~7~.3~5~]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-5-methyloxan-2-yl)butanoic acid
- 64003-50-5
- XLVIXTBNHCWLTO-UHFFFAOYSA-N
- Antibiotic SY 1
- SY-1
- 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid
- DTXSID70981913
-
- Inchi： 1S/C42H70O10/c1-11-30(38(45)46)32-16-15-24(4)36(49-32)28(8)34(43)27(7)35(44)31(12-2)37-25(5)23-26(6)42(50-37)19-14-18-41(52-42)22-21-39(10,51-41)33-17-20-40(47,13-3)29(9)48-33/h14,19,24-34,36-37,43,47H,11-13,15-18,20-23H2,1-10H3,(H,45,46)
- InChI Key： XLVIXTBNHCWLTO-UHFFFAOYSA-N
- SMILES： O1C2(CC=CC3(C(C)CC(C)C(C(CC)C(C(C)C(C(C)C4C(C)CCC(C(C(=O)O)CC)O4)O)=O)O3)O2)CCC1(C)C1CCC(CC)(C(C)O1)O
Computed Properties
- Exact Mass: 734.4971
- Monoisotopic Mass: 734.497
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 52
- Rotatable Bond Count: 12
- Complexity: 1290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 17
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.8
- Topological Polar Surface Area: 141?2
Experimental Properties
- Density: 1.15
- Boiling Point: 804.6°Cat760mmHg
- Flash Point: 232°C
- Refractive Index: 1.54
- PSA: 140.98
Salinomycin, 20-deoxy- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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