| SpectraBase Compound ID | ABKiXcZWFqG |
|---|---|
| InChI | InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27+,28-,29+,30-,31+,32+,33+,34-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46+/m1/s1 |
| InChIKey | HSZLKTCKAYXVBX-FGQOHAKPSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H78N2O15 |
| Exact Mass | 898.54022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zhLpJ98Xb8 |
|---|---|
| Name | SPIRAMYCIN-3 |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78N2O15 |
| InChI | InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27+,28-,29+,30-,31+,32+,33+,34-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46+/m1/s1 |
| InChIKey | HSZLKTCKAYXVBX-FGQOHAKPSA-N |
| Literature Reference Author | S.OMURA,A.NAKAGAWA,A.NESZMELYI,S.D.GERO,A.M.SEPULCHRE,F.PIRI OU,G.LUKACS |
| Literature Reference Citation | J.AM.CHEM.SOC.,97,4001(1975) |
| Literature Reference DOI | 10.1021/ja00847a022 |
| Molecular Weight | 899.130 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13622 |