Cas no 82664-27-5 (Antibiotic P 15149; 8,19-Didehydro, 8,19-epoxide)
82664-27-5 structure
Product Name:Antibiotic P 15149; 8,19-Didehydro, 8,19-epoxide
CAS No:82664-27-5
MF:C36H63NO13
MW:717.884332895279
CID:730198
Update Time:2024-03-01
Antibiotic P 15149; 8,19-Didehydro, 8,19-epoxide Chemical and Physical Properties
Names and Identifiers
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- Erythromycin,3''-C-demethyl-12-deoxy-8,19-epoxy-, (3''S)- (9CI)
- (3'S)-3'-Demethyl-8,19-epoxy-12-deoxyerythromycin
- CID 101970450
- Antibiotic P-15153
- P-15153
- Antibiotic P 15149; 8,19-Didehydro, 8,19-epoxide
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- Inchi： 1S/C36H63NO13/c1-12-24-18(3)27(38)19(4)31(41)36(16-45-36)15-35(8,43)32(50-34-29(40)23(37(9)10)13-17(2)46-34)20(5)30(21(6)33(42)48-24)49-26-14-25(44-11)28(39)22(7)47-26/h17-30,32,34,38-40,43H,12-16H2,1-11H3/t17-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,32-,34+,35-,36-/m1/s1
- InChI Key： JDVWIIXSTFTJLI-RSCULXTMSA-N
- SMILES： O1C[C@@]21C([C@H](C)[C@H]([C@@H](C)[C@@H](CC)OC([C@H](C)[C@H]([C@H](C)[C@H]([C@@](C)(C2)O)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O)OC)=O)O)=O
Computed Properties
- Exact Mass: 717.43
- Monoisotopic Mass: 717.43
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 50
- Rotatable Bond Count: 7
- Complexity: 1160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 18
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 186
Antibiotic P 15149; 8,19-Didehydro, 8,19-epoxide Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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