| SpectraBase Compound ID | Ld3Zhgjk8j9 |
|---|---|
| InChI | InChI=1S/C51H74O24/c1-17-29(71-35-14-30(44(59)21(5)68-35)72-33-12-27(53)42(57)19(3)66-33)11-25-9-24-10-26(50(65-8)49(64)41(56)18(2)52)51(48(63)39(24)47(62)38(25)40(17)55)75-37-16-32(46(61)23(7)70-37)74-36-15-31(45(60)22(6)69-36)73-34-13-28(54)43(58)20(4)67-34/h9,11,18-23,26-28,30-37,41-46,50-62H,10,12-16H2,1-8H3/t18-,19-,20+,21+,22-,23+,26-,27-,28-,30+,31-,32+,33+,34-,35-,36+,37-,41+,42-,43+,44+,45+,46+,50+,51-/m0/s1 |
| InChIKey | KFNMIACXDPOGJG-JPUASGFDSA-N |
| Mol Weight | 1071.1 g/mol |
| Molecular Formula | C51H74O24 |
| Exact Mass | 1070.457003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgfmsqhBwN2 |
|---|---|
| Name | DEMYCAROSYL-3-D-BETA-D-DIGITOXOSYL_MITHRAMYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O24 |
| InChI | InChI=1S/C51H74O24/c1-17-29(71-35-14-30(44(59)21(5)68-35)72-33-12-27(53)42(57)19(3)66-33)11-25-9-24-10-26(50(65-8)49(64)41(56)18(2)52)51(48(63)39(24)47(62)38(25)40(17)55)75-37-16-32(46(61)23(7)70-37)74-36-15-31(45(60)22(6)69-36)73-34-13-28(54)43(58)20(4)67-34/h9,11,18-23,26-28,30-37,41-46,50-62H,10,12-16H2,1-8H3/t18-,19-,20+,21+,22-,23+,26-,27-,28-,30+,31-,32+,33+,34-,35-,36+,37-,41+,42-,43+,44+,45+,46+,50+,51-/m0/s1 |
| InChIKey | KFNMIACXDPOGJG-JPUASGFDSA-N |
| Literature Reference Author | I.BAIG,M.PEREZ,A.F.BRANA,R.GOMATHINAYAGAM,C.DAMODARAN,J.A.SA LAS,C.MENDEZ,J.ROHR |
| Literature Reference Citation | J.NAT.PROD.,71,199(2008) |
| Literature Reference DOI | 10.1021/np0705763 |
| Molecular Weight | 1071.134 g/mol |
| Sample ID | 27374 |
| Solvent | C5D5N |