| SpectraBase Compound ID | DGFqC6lk1mF |
|---|---|
| InChI | InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1 |
| InChIKey | FCFNRCROJUBPLU-DNDCDFAISA-N |
| Mol Weight | 1111.3 g/mol |
| Molecular Formula | C54H90N6O18 |
| Exact Mass | 1110.63116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | awcPaLGHqI |
|---|---|
| Name | VALINOMYCIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90N6O18 |
| InChI | InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1 |
| InChIKey | FCFNRCROJUBPLU-DNDCDFAISA-N |
| Literature Reference Author | S.M.PIMENTEL-ELARDO,S.KOZYTSKA,T.S.BUGNI,C.M.IRELAND,H.MOLL, U.HENTSCHEL |
| Literature Reference Citation | MAR.DRUGS,8,373(2010) |
| Literature Reference DOI | 10.3390/md8020373 |
| Molecular Weight | 1111.338 g/mol |
| Source File Reference | UWIR6205 |