![[2-DEUTERO-3-FLUORO-D-ALANYL(8)]-CYCLOSPORIN-A;[2-(2)H-3-F-D-ALA(8)]-CYA](/api/spectrum/47KGGA0CCGB/structure.png?h=300&w=458 "[2-DEUTERO-3-FLUORO-D-ALANYL(8)]-CYCLOSPORIN-A;[2-(2)H-3-F-D-ALA(8)]-CYA")
| SpectraBase Compound ID | ESKZwWuRfCk |
|---|---|
| InChI | InChI=1S/C62H110FN11O12/c1-24-26-27-40(15)52(76)51-56(80)65-42(25-2)57(81)68(17)33-48(75)69(18)44(28-34(3)4)55(79)67-49(38(11)12)61(85)70(19)45(29-35(5)6)54(78)64-41(16)53(77)66-43(32-63)58(82)71(20)46(30-36(7)8)59(83)72(21)47(31-37(9)10)60(84)73(22)50(39(13)14)62(86)74(51)23/h24,26,34-47,49-52,76H,25,27-33H2,1-23H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42-,43?,44+,45-,46+,47+,49+,50-,51+,52-/m1/s1/i43D |
| InChIKey | HAEOVDBPAZBOPG-HWNSYDKLSA-N |
| Mol Weight | 1221.6 g/mol |
| Molecular Formula | C62H1092HFN11O12 |
| Exact Mass | 1220.838223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47KGGA0CCGB |
|---|---|
| Name | [2-DEUTERO-3-FLUORO-D-ALANYL(8)]-CYCLOSPORIN-A;[2-(2)H-3-F-D-ALA(8)]-CYA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H1092HFN11O12 |
| InChI | InChI=1S/C62H110FN11O12/c1-24-26-27-40(15)52(76)51-56(80)65-42(25-2)57(81)68(17)33-48(75)69(18)44(28-34(3)4)55(79)67-49(38(11)12)61(85)70(19)45(29-35(5)6)54(78)64-41(16)53(77)66-43(32-63)58(82)71(20)46(30-36(7)8)59(83)72(21)47(31-37(9)10)60(84)73(22)50(39(13)14)62(86)74(51)23/h24,26,34-47,49-52,76H,25,27-33H2,1-23H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42-,43?,44+,45-,46+,47+,49+,50-,51+,52-/m1/s1/i43D |
| InChIKey | HAEOVDBPAZBOPG-HWNSYDKLSA-N |
| Literature Reference Author | O.D.HENSENS,R.F.WHITE,R.T.GOEGELMAN,E.S.INAMINE,A.A.PATCHETT |
| Literature Reference Citation | J.ANTIBIOTICS,45,133(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.133 |
| Molecular Weight | 1221.626 g/mol |
| Sample ID | 45810 |
| Solvent | CDCl3 |