| SpectraBase Compound ID | 7d1GYGwin9Y |
|---|---|
| InChI | InChI=1S/C54H50N16O15S3/c1-20(2)13-31-51-67-33(16-85-51)44(76)55-14-37-63-34(17-86-37)46(78)61-26(8)52-68-35(18-87-52)47(79)59-24(6)42(74)60-25(7)50-66-32(15-84-50)39-29(53-69-36(19-88-53)48(80)70-38(28(10)71)49(81)65-31)11-12-30(64-39)45(77)58-23(5)41(73)56-21(3)40(72)57-22(4)43(75)62-27(9)54(82)83/h11-13,15-20,26,28,38,71H,3-7,9,14H2,1-2,8,10H3,(H,55,76)(H,56,73)(H,57,72)(H,58,77)(H,59,79)(H,60,74)(H,61,78)(H,62,75)(H,65,81)(H,70,80)(H,82,83)/b31-13+ |
| InChIKey | QVRLYADTMJWIFG-IURWMYGYSA-N |
| Mol Weight | 1259.3 g/mol |
| Molecular Formula | C54H50N16O15S3 |
| Exact Mass | 1258.280368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tIhgpejxIk |
|---|---|
| Name | A-10255-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H50N16O15S3 |
| InChI | InChI=1S/C54H50N16O15S3/c1-20(2)13-31-51-67-33(16-85-51)44(76)55-14-37-63-34(17-86-37)46(78)61-26(8)52-68-35(18-87-52)47(79)59-24(6)42(74)60-25(7)50-66-32(15-84-50)39-29(53-69-36(19-88-53)48(80)70-38(28(10)71)49(81)65-31)11-12-30(64-39)45(77)58-23(5)41(73)56-21(3)40(72)57-22(4)43(75)62-27(9)54(82)83/h11-13,15-20,26,28,38,71H,3-7,9,14H2,1-2,8,10H3,(H,55,76)(H,56,73)(H,57,72)(H,58,77)(H,59,79)(H,60,74)(H,61,78)(H,62,75)(H,65,81)(H,70,80)(H,82,83)/b31-13+ |
| InChIKey | QVRLYADTMJWIFG-IURWMYGYSA-N |
| Literature Reference Author | M.E.FAVRET,J.W.PASCHAL,T.K.ELZEY,L.V.D.BOECK |
| Literature Reference Citation | J.ANTIBIOTICS,45,1499(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.1499 |
| Molecular Weight | 1259.269 g/mol |
| Sample ID | 46020 |
| Solvent | DMSO-D6 |