![RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE](/api/spectrum/DzVYCez6AYR/structure.png?h=300&w=458 "RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE")
| SpectraBase Compound ID | 3njf87XRC8N |
|---|---|
| InChI | InChI=1S/C58H87N2O14S.BrH/c1-34-18-14-13-15-19-35(2)48(69-10)30-44-23-21-40(7)58(68,74-44)55(65)56(66)60-25-17-16-20-45(60)57(67)73-49(31-46(61)36(3)27-39(6)53(64)54(71-12)52(63)38(5)26-34)37(4)28-43-22-24-47(50(29-43)70-11)72-51(62)32-59-33-75-42(9)41(59)8;/h13-15,18-19,27,33-34,36-38,40,43-45,47-50,53-54,64,68H,16-17,20-26,28-32H2,1-12H3;1H/q+1;/p-1/b15-13+,18-14+,35-19+,39-27+;/t34-,36-,37-,38-,40-,43+,44+,45+,47-,48+,49+,50-,53-,54+,58-;/m1./s1 |
| InChIKey | SJOBAFASIHUSNO-LLYSEJEHSA-M |
| Mol Weight | 1148.3 g/mol |
| Molecular Formula | C58H87BrN2O14S |
| Exact Mass | 1146.50614 g/mol |
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| SpectraBase Spectrum ID | DzVYCez6AYR |
|---|---|
| Name | RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H87BrN2O14S |
| InChI | InChI=1S/C58H87N2O14S.BrH/c1-34-18-14-13-15-19-35(2)48(69-10)30-44-23-21-40(7)58(68,74-44)55(65)56(66)60-25-17-16-20-45(60)57(67)73-49(31-46(61)36(3)27-39(6)53(64)54(71-12)52(63)38(5)26-34)37(4)28-43-22-24-47(50(29-43)70-11)72-51(62)32-59-33-75-42(9)41(59)8;/h13-15,18-19,27,33-34,36-38,40,43-45,47-50,53-54,64,68H,16-17,20-26,28-32H2,1-12H3;1H/q+1;/p-1/b15-13+,18-14+,35-19+,39-27+;/t34-,36-,37-,38-,40-,43+,44+,45+,47-,48+,49+,50-,53-,54+,58-;/m1./s1 |
| InChIKey | SJOBAFASIHUSNO-LLYSEJEHSA-M |
| Literature Reference Author | S.CAO,X.ZHOU,Y.YANG,W.ZHONG,T.SUN |
| Literature Reference Citation | MOLECULES,19,7770(2014) |
| Literature Reference DOI | 10.3390/molecules19067770 |
| Molecular Weight | 1148.298 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR14748 |