Cas no 104946-62-5 (1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI))
104946-62-5 structure
Product Name:1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI)
CAS No:104946-62-5
MF:C26H44O11
MW:532.620969772339
CID:187670
PubChem ID:21637867
Update Time:2025-04-19
1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI)
- Benzo-33-crown-11
- 1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahyd
- 104946-62-5
- DTXSID601025245
-
- Inchi： 1S/C26H44O11/c1-2-4-26-25(3-1)36-23-21-34-19-17-32-15-13-30-11-9-28-7-5-27-6-8-29-10-12-31-14-16-33-18-20-35-22-24-37-26/h1-4H,5-24H2
- InChI Key： BATUERSUZYXRLB-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCCOCCOC2C=CC=CC=2OCCOCCOCCOCCOCC1
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 532.288
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 37
- Rotatable Bond Count: 0
- Complexity: 432
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.1
- Topological Polar Surface Area: 102A^2
Experimental Properties
- PSA: 52.54
1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
104946-62-5 (1,4,7,10,13,16,19,22,25,28,31-Benzundecaoxacyclotritriacontin,2,3,5,6,8,9,11,12,14,15,17,18,20,21,23,24,26,27,29,30-eicosahydro- (9CI)) Related Products
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