| SpectraBase Compound ID | HGa2D99dSC |
|---|---|
| InChI | InChI=1S/C44H63NO9/c1-11-12-29-13-14-30-19-26(6)37(53-33-21-42(9,51)38(27(7)52-33)45-28(8)46)25(5)17-22(2)32-16-15-31-35(23(3)18-24(4)36(31)47)43(32,10)39(48)34-40(49)44(30,20-29)54-41(34)50/h13-17,19,23-25,27,29-33,35-38,47,49,51H,11-12,18,20-21H2,1-10H3,(H,45,46)/b22-17-,26-19- |
| InChIKey | HIYBOYXOUZOFGE-USLLSOECSA-N |
| Mol Weight | 750.0 g/mol |
| Molecular Formula | C44H63NO9 |
| Exact Mass | 749.450283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98IF9bh3G3K |
|---|---|
| Name | AGLYCONE_WITH_E-SUGAR_OF_SACCHAROCARCIN_B |
| Compound Number | 1 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H63NO9 |
| InChI | InChI=1S/C44H63NO9/c1-11-12-29-13-14-30-19-26(6)37(53-33-21-42(9,51)38(27(7)52-33)45-28(8)46)25(5)17-22(2)32-16-15-31-35(23(3)18-24(4)36(31)47)43(32,10)39(48)34-40(49)44(30,20-29)54-41(34)50/h13-17,19,23-25,27,29-33,35-38,47,49,51H,11-12,18,20-21H2,1-10H3,(H,45,46)/b22-17-,26-19- |
| InChIKey | HIYBOYXOUZOFGE-USLLSOECSA-N |
| Literature Reference Author | V.R.HEGDE,M.G.PATEL,P.R.DAS,B.PRMANIK,M.S.PUAR |
| Literature Reference Citation | J.ANTIBIOTICS,50,126(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.126 |
| Molecular Weight | 749.986 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ5314 |