| SpectraBase Compound ID | AGFnVcRKc1X |
|---|---|
| InChI | InChI=1S/2C41H73NO17/c2*1-13-28-25(19-55-40-37(54-12)36(53-11)33(47)23(5)57-40)38(49)41(6,50)15-14-26(43)20(2)16-24(17-30(51-9)52-10)35(21(3)27(44)18-29(45)58-28)59-39-34(48)31(42(7)8)32(46)22(4)56-39/h2*14-15,20-25,27-28,30-40,44,46-50H,13,16-19H2,1-12H3/b2*15-14+/t20-,21+,22?,23?,24-,25-,27-,28-,31?,32?,33?,34?,35?,36?,37?,38-,39-,40+,41-;20-,21+,22?,23?,24-,25-,27-,28-,31?,32?,33?,34?,35-,36?,37?,38-,39-,40+,41-/m10/s1 |
| InChIKey | ANXCPZWOMAHWBS-IEZSWELLSA-N |
| Mol Weight | 1704.0 g/mol |
| Molecular Formula | C82H146N2O34 |
| Exact Mass | 1702.9757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ogr6MGbpXs |
|---|---|
| Name | 12,13-DIHYDRO-12,13-DIHYDROXY-DESMYCOSIN-20-DIMETHYL-ACETAL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H146N2O34 |
| InChI | InChI=1S/2C41H73NO17/c2*1-13-28-25(19-55-40-37(54-12)36(53-11)33(47)23(5)57-40)38(49)41(6,50)15-14-26(43)20(2)16-24(17-30(51-9)52-10)35(21(3)27(44)18-29(45)58-28)59-39-34(48)31(42(7)8)32(46)22(4)56-39/h2*14-15,20-25,27-28,30-40,44,46-50H,13,16-19H2,1-12H3/b2*15-14+/t20-,21+,22?,23?,24-,25-,27-,28-,31?,32?,33?,34?,35?,36?,37?,38-,39-,40+,41-;20-,21+,22?,23?,24-,25-,27-,28-,31?,32?,33?,34?,35-,36?,37?,38-,39-,40+,41-/m10/s1 |
| InChIKey | ANXCPZWOMAHWBS-IEZSWELLSA-N |
| Literature Reference Author | Z.MANDIC,A.NARANDA,P.NOVAK,K.BRAJSA,M.DEREK,D.IVEKOVIC |
| Literature Reference Citation | J.ANTIBIOTICS,55,807(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.807 |
| Molecular Weight | 1704.054 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7027 |