| SpectraBase Compound ID | LE7smyzPoZI |
|---|---|
| InChI | InChI=1S/C46H66O21/c1-16-26(64-29-12-25(48)37(51)18(3)60-29)11-23-9-22-10-24(43(59-8)42(56)36(50)17(2)47)44(41(55)34(22)40(54)33(23)35(16)49)67-31-14-27(38(52)20(5)62-31)65-30-13-28(39(53)19(4)61-30)66-32-15-46(7,58)45(57)21(6)63-32/h9,11,17-21,24-25,27-32,36-39,43-45,47-54,57-58H,10,12-15H2,1-8H3/t17-,18+,19-,20+,21+,24-,25+,27+,28-,29-,30+,31-,32-,36+,37+,38+,39+,43+,44-,45+,46-/m0/s1 |
| InChIKey | IDDKQVJMKNCIAN-VXOPDYHPSA-N |
| Mol Weight | 955.0 g/mol |
| Molecular Formula | C46H66O21 |
| Exact Mass | 954.409659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXOHl1TqXqI |
|---|---|
| Name | 3-A-DEOLIVOSYL_MITHRAMYCIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H66O21 |
| InChI | InChI=1S/C46H66O21/c1-16-26(64-29-12-25(48)37(51)18(3)60-29)11-23-9-22-10-24(43(59-8)42(56)36(50)17(2)47)44(41(55)34(22)40(54)33(23)35(16)49)67-31-14-27(38(52)20(5)62-31)65-30-13-28(39(53)19(4)61-30)66-32-15-46(7,58)45(57)21(6)63-32/h9,11,17-21,24-25,27-32,36-39,43-45,47-54,57-58H,10,12-15H2,1-8H3/t17-,18+,19-,20+,21+,24-,25+,27+,28-,29-,30+,31-,32-,36+,37+,38+,39+,43+,44-,45+,46-/m0/s1 |
| InChIKey | IDDKQVJMKNCIAN-VXOPDYHPSA-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 | 955.017 g/mol |
| Sample ID | 27377 |
| Solvent | C5D5N |