| SpectraBase Compound ID | ELxdMP7cX0L |
|---|---|
| InChI | InChI=1S/C42H64O17/c1-18-19-9-10-25-39(4)14-21(44)35(42(7,54)26(45)11-12-38(2,3)55-8)40(39,5)15-27(46)41(25,6)20(19)13-22(28(18)47)57-37-34(53)32(51)30(49)24(59-37)17-56-36-33(52)31(50)29(48)23(16-43)58-36/h11-13,21,23-26,29-37,43-45,47-54H,9-10,14-17H2,1-8H3/b12-11+/t21-,23+,24+,25+,26+,29+,30+,31-,32-,33+,34+,35+,36+,37+,39+,40-,41+,42+/m1/s1 |
| InChIKey | IGLIVQXQVKYICG-NPLYHYOTSA-N |
| Mol Weight | 841.0 g/mol |
| Molecular Formula | C42H64O17 |
| Exact Mass | 840.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlNbavowcVv |
|---|---|
| Name | ANDIROBICIN-A-GENTOBIOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O17 |
| InChI | InChI=1S/C42H64O17/c1-18-19-9-10-25-39(4)14-21(44)35(42(7,54)26(45)11-12-38(2,3)55-8)40(39,5)15-27(46)41(25,6)20(19)13-22(28(18)47)57-37-34(53)32(51)30(49)24(59-37)17-56-36-33(52)31(50)29(48)23(16-43)58-36/h11-13,21,23-26,29-37,43-45,47-54H,9-10,14-17H2,1-8H3/b12-11+/t21-,23+,24+,25+,26+,29+,30+,31-,32-,33+,34+,35+,36+,37+,39+,40-,41+,42+/m1/s1 |
| InChIKey | IGLIVQXQVKYICG-NPLYHYOTSA-N |
| Literature Reference Author | L.M.M.VALENTE,A.A.L.GUNATILAKA,D.G.I.KINGSTON,A.C.PINTO |
| Literature Reference Citation | J.NAT.PROD.,57,1560(1994) |
| Literature Reference DOI | 10.1021/np50113a015 |
| Molecular Weight | 840.960 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP3240 |