| SpectraBase Compound ID | IeD4qV4ujir |
|---|---|
| InChI | InChI=1S/C66H76ClN9O24/c1-24(2)14-35(70-5)58(87)75-49-51(82)28-9-13-39(34(67)16-28)97-41-18-29-17-40(56(41)100-65-54(85)53(84)52(83)42(23-77)98-65)96-31-10-6-26(7-11-31)55(99-44-22-66(4,69)57(86)25(3)95-44)50-63(92)74-48(64(93)94)33-19-30(78)20-38(80)45(33)32-15-27(8-12-37(32)79)46(60(89)76-50)73-61(90)47(29)72-59(88)36(21-43(68)81)71-62(49)91/h6-13,15-20,24-25,35-36,42,44,46-55,57,65,70,77-80,82-86H,14,21-23,69H2,1-5H3,(H2,68,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t25-,35+,36-,42-,44-,46+,47+,48+,49+,50-,51+,52-,53+,54-,55+,57-,65+,66-/m0/s1 |
| InChIKey | LGPNDFRHAKTQDR-YPAAVWKPSA-N |
| Mol Weight | 1414.8 g/mol |
| Molecular Formula | C66H76ClN9O24 |
| Exact Mass | 1413.469172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3BEdI5fIzo |
|---|---|
| Name | DESEREMOSAMINYLEREMOMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H76ClN9O24 |
| InChI | InChI=1S/C66H76ClN9O24/c1-24(2)14-35(70-5)58(87)75-49-51(82)28-9-13-39(34(67)16-28)97-41-18-29-17-40(56(41)100-65-54(85)53(84)52(83)42(23-77)98-65)96-31-10-6-26(7-11-31)55(99-44-22-66(4,69)57(86)25(3)95-44)50-63(92)74-48(64(93)94)33-19-30(78)20-38(80)45(33)32-15-27(8-12-37(32)79)46(60(89)76-50)73-61(90)47(29)72-59(88)36(21-43(68)81)71-62(49)91/h6-13,15-20,24-25,35-36,42,44,46-55,57,65,70,77-80,82-86H,14,21-23,69H2,1-5H3,(H2,68,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t25-,35+,36-,42-,44-,46+,47+,48+,49+,50-,51+,52-,53+,54-,55+,57-,65+,66-/m0/s1 |
| InChIKey | LGPNDFRHAKTQDR-YPAAVWKPSA-N |
| Literature Reference Author | G.BATTA,F.SZTARICSKAI,K.E.KOEVER,C.RUEDEL,T.F.BERDNIKOVA |
| Literature Reference Citation | J.ANTIBIOTICS,44,1208(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1208 |
| Molecular Weight | 1414.828 g/mol |
| Sample ID | 66600 |
| Solvent | D2O |