| SpectraBase Compound ID | 1207WMjLmUU |
|---|---|
| InChI | InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21+,22+,23+,24+,27-,28-,30+,31+,32-,33+,34-,35+,36-,37-,41+,42-,43+,44+,45+,49+,50-,51+,52-/m0/s1 |
| InChIKey | CFCUWKMKBJTWLW-SNCHJSEFSA-N |
| Mol Weight | 1085.2 g/mol |
| Molecular Formula | C52H76O24 |
| Exact Mass | 1084.472653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LkeVKfNLNga |
|---|---|
| Name | DEOLIOSYL-3-C-ALPHA-L-DIGITOXOSYL_MITHRAMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H76O24 |
| InChI | InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21+,22+,23+,24+,27-,28-,30+,31+,32-,33+,34-,35+,36-,37-,41+,42-,43+,44+,45+,49+,50-,51+,52-/m0/s1 |
| InChIKey | CFCUWKMKBJTWLW-SNCHJSEFSA-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 | 1085.161 g/mol |
| Sample ID | 27375 |
| Solvent | C5D5N |