| SpectraBase Compound ID | 6w8Xqk0swbb |
|---|---|
| InChI | InChI=1S/C38H38O14/c1-17-24(50-27(40)10-8-6-5-7-9-25-18(2)51-38(4,52-25)36(46)47)13-14-26(49-17)19-11-12-20-30(31(19)41)33(43)21-15-23(39)22-16-37(3,48)35(45)34(44)29(22)28(21)32(20)42/h5-12,15,17-18,24-26,35,39,41,45,48H,13-14,16H2,1-4H3,(H,46,47)/b6-5+,9-7+,10-8+/t17-,18+,24+,25+,26-,35?,37?,38+/m1/s1 |
| InChIKey | SBGGQXGOQWLPLU-JSBUERMESA-N |
| Mol Weight | 718.7 g/mol |
| Molecular Formula | C38H38O14 |
| Exact Mass | 718.226156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1Id7cHT0Jy |
|---|---|
| Name | FRADIMYCIN-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H38O14 |
| InChI | InChI=1S/C38H38O14/c1-17-24(50-27(40)10-8-6-5-7-9-25-18(2)51-38(4,52-25)36(46)47)13-14-26(49-17)19-11-12-20-30(31(19)41)33(43)21-15-23(39)22-16-37(3,48)35(45)34(44)29(22)28(21)32(20)42/h5-12,15,17-18,24-26,35,39,41,45,48H,13-14,16H2,1-4H3,(H,46,47)/b6-5+,9-7+,10-8+/t17-,18+,24+,25+,26-,35?,37?,38+/m1/s1 |
| InChIKey | SBGGQXGOQWLPLU-JSBUERMESA-N |
| Literature Reference Author | W.XIN,X.YE,S.YU,X.Y.LIAN,Z.ZHANG |
| Literature Reference Citation | MAR.DRUGS,10,2388(2012) |
| Literature Reference DOI | 10.3390/md10112388 |
| Molecular Weight | 718.711 g/mol |
| Source File Reference | UWIR6049 |