| SpectraBase Compound ID | 7yjScgw8SdG |
|---|---|
| InChI | InChI=1S/C47H63N5O27/c1-18(53)48-33-14-15-52(47(66)51-33)45-44(76-30(13)65)39(72-26(9)61)35(50-20(3)55)38(78-45)42(43(75-29(12)64)41(74-28(11)63)37(71-25(8)60)32(69-23(6)58)17-68-22(5)57)79-46-40(73-27(10)62)34(49-19(2)54)36(70-24(7)59)31(77-46)16-67-21(4)56/h14-15,31-32,34-46H,16-17H2,1-13H3,(H,49,54)(H,50,55)(H,48,51,53,66)/t31-,32?,34+,35-,36-,37?,38+,39+,40-,41?,42?,43?,44-,45-,46+/m1/s1 |
| InChIKey | MXUXKKJUMYTMTD-UWKWTMHMSA-N |
| Mol Weight | 1130.0 g/mol |
| Molecular Formula | C47H63N5O27 |
| Exact Mass | 1129.371042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYbHpcCSbn2 |
|---|---|
| Name | HIKIZIMYCIN-PERACETATE;ANTHELMYCIN-PERACETATE |
| CAS Registry Number | 62990-71-0 |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H63N5O27 |
| InChI | InChI=1S/C47H63N5O27/c1-18(53)48-33-14-15-52(47(66)51-33)45-44(76-30(13)65)39(72-26(9)61)35(50-20(3)55)38(78-45)42(43(75-29(12)64)41(74-28(11)63)37(71-25(8)60)32(69-23(6)58)17-68-22(5)57)79-46-40(73-27(10)62)34(49-19(2)54)36(70-24(7)59)31(77-46)16-67-21(4)56/h14-15,31-32,34-46H,16-17H2,1-13H3,(H,49,54)(H,50,55)(H,48,51,53,66)/t31-,32?,34+,35-,36-,37?,38+,39+,40-,41?,42?,43?,44-,45-,46+/m1/s1 |
| InChIKey | MXUXKKJUMYTMTD-UWKWTMHMSA-N |
| Literature Reference Author | M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,42,3289(1977) |
| Literature Reference DOI | 10.1021/jo00440a019 |
| Molecular Weight | 1130.035 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13011 |