![[ALA(2),VAL(11)]-CYCLOSPORIN](/api/spectrum/GVMyaAP2VYj/structure.png?h=300&w=458 "[ALA(2),VAL(11)]-CYCLOSPORIN")
| SpectraBase Compound ID | DYtSaI6xPFj |
|---|---|
| InChI | InChI=1S/C60H107N11O12/c1-24-25-26-38(14)50(73)49-55(78)63-40(16)56(79)66(18)31-46(72)67(19)42(27-32(2)3)53(76)64-47(36(10)11)59(82)69(21)43(28-33(4)5)52(75)61-39(15)51(74)62-41(17)57(80)70(22)45(30-35(8)9)58(81)68(20)44(29-34(6)7)54(77)65-48(37(12)13)60(83)71(49)23/h24-25,32-45,47-50,73H,26-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,78)(H,64,76)(H,65,77)/b25-24+/t38-,39-,40-,41+,42-,43+,44+,45+,47+,48-,49+,50+/m0/s1 |
| InChIKey | VLTSBRYDSJPRRG-QPDDFXLKSA-N |
| Mol Weight | 1174.6 g/mol |
| Molecular Formula | C60H107N11O12 |
| Exact Mass | 1173.810068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVMyaAP2VYj |
|---|---|
| Name | [ALA(2),VAL(11)]-CYCLOSPORIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H107N11O12 |
| InChI | InChI=1S/C60H107N11O12/c1-24-25-26-38(14)50(73)49-55(78)63-40(16)56(79)66(18)31-46(72)67(19)42(27-32(2)3)53(76)64-47(36(10)11)59(82)69(21)43(28-33(4)5)52(75)61-39(15)51(74)62-41(17)57(80)70(22)45(30-35(8)9)58(81)68(20)44(29-34(6)7)54(77)65-48(37(12)13)60(83)71(49)23/h24-25,32-45,47-50,73H,26-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,78)(H,64,76)(H,65,77)/b25-24+/t38-,39-,40-,41+,42-,43+,44+,45+,47+,48-,49+,50+/m0/s1 |
| InChIKey | VLTSBRYDSJPRRG-QPDDFXLKSA-N |
| Literature Reference Author | M.BUCHTA,A.JEGOROV,L.CVAK,V.HAVLICEK,M.BUDESINSKY,P.SEDMERA |
| Literature Reference Citation | PHYTOCHEM.,48,1195(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00160-5 |
| Molecular Weight | 1174.576 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1420 |