| SpectraBase Compound ID | 4vVeMD6t3JO |
|---|---|
| InChI | InChI=1S/C41H71NO16/c1-13-27-25(19-53-40-37(52-12)36(51-11)33(46)23(5)55-40)38(48)41(6)15-14-26(43)20(2)16-24(17-30(49-9)50-10)35(21(3)28(58-41)18-29(44)56-27)57-39-34(47)31(42(7)8)32(45)22(4)54-39/h14-15,20-25,27-28,30-40,45-48H,13,16-19H2,1-12H3/b15-14+/t20?,21?,22?,23?,24?,25-,27?,28?,31-,32?,33?,34?,35?,36?,37?,38-,39?,40?,41?/m1/s1 |
| InChIKey | NVBLPILEDODDCM-OAFNCHSHSA-N |
| Mol Weight | 834.0 g/mol |
| Molecular Formula | C41H71NO16 |
| Exact Mass | 833.477285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42Bl2hKl6X0 |
|---|---|
| Name | 13-HYDROXY-3-DEHYDROXY-3,12-OXA-DESMYCOSIN-20-DIMETHYL-ACETAL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H71NO16 |
| InChI | InChI=1S/C41H71NO16/c1-13-27-25(19-53-40-37(52-12)36(51-11)33(46)23(5)55-40)38(48)41(6)15-14-26(43)20(2)16-24(17-30(49-9)50-10)35(21(3)28(58-41)18-29(44)56-27)57-39-34(47)31(42(7)8)32(45)22(4)54-39/h14-15,20-25,27-28,30-40,45-48H,13,16-19H2,1-12H3/b15-14+/t20?,21?,22?,23?,24?,25-,27?,28?,31-,32?,33?,34?,35?,36?,37?,38-,39?,40?,41?/m1/s1 |
| InChIKey | NVBLPILEDODDCM-OAFNCHSHSA-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 | 834.012 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7030 |