| SpectraBase Compound ID | C4cBaxsbsAh |
|---|---|
| InChI | InChI=1S/C41H64O16/c1-12-30(43)55-34-25(7)53-39(38(49-11)37(34)48-10)50-20-26-24(6)52-32(45)17-14-21(3)33(22(4)19-41(8,46)29(42)16-15-27-35(26)54-27)57-40-36(56-31(44)13-2)28(47-9)18-23(5)51-40/h14-17,21-28,33-40,46H,12-13,18-20H2,1-11H3/b16-15+,17-14+/t21?,22?,23-,24?,25+,26?,27?,28+,33?,34+,35?,36-,37-,38+,39+,40+,41?/m1/s1 |
| InChIKey | XJSZDFPQEHXXEE-GUXYDSATSA-N |
| Mol Weight | 812.9 g/mol |
| Molecular Formula | C41H64O16 |
| Exact Mass | 812.419436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EihMRRNRau0 |
|---|---|
| Name | CHALCOMYCIN-B |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O16 |
| InChI | InChI=1S/C41H64O16/c1-12-30(43)55-34-25(7)53-39(38(49-11)37(34)48-10)50-20-26-24(6)52-32(45)17-14-21(3)33(22(4)19-41(8,46)29(42)16-15-27-35(26)54-27)57-40-36(56-31(44)13-2)28(47-9)18-23(5)51-40/h14-17,21-28,33-40,46H,12-13,18-20H2,1-11H3/b16-15+,17-14+/t21?,22?,23-,24?,25+,26?,27?,28+,33?,34+,35?,36-,37-,38+,39+,40+,41?/m1/s1 |
| InChIKey | XJSZDFPQEHXXEE-GUXYDSATSA-N |
| Literature Reference Author | R.N.ASOLKAR,R.P.MASKEY,E.HELMKE,H.LAATSCH |
| Literature Reference Citation | J.ANTIBIOTICS,55,893(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.893 |
| Molecular Weight | 812.950 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7442 |