| SpectraBase Compound ID | BoyqCNZGsH9 |
|---|---|
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22-,23-,24+,25+,27+,28-,29-,30-,31-,33+,34-,35-,40-,41+,42-/m0/s1 |
| InChIKey | MLFFTLJFBITXTG-XOUIXKOHSA-N |
| Mol Weight | 782.9 g/mol |
| Molecular Formula | C42H58N2O12 |
| Exact Mass | 782.398975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGf31UlZ1CZ |
|---|---|
| Name | AGLYCONE_WITH_E-SUGAR_OF_KIJANIMICIN |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58N2O12 |
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22-,23-,24+,25+,27+,28-,29-,30-,31-,33+,34-,35-,40-,41+,42-/m0/s1 |
| InChIKey | MLFFTLJFBITXTG-XOUIXKOHSA-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 | 782.929 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ5303 |