| SpectraBase Compound ID | Iwabtnjz8mD |
|---|---|
| InChI | InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-40,46-48,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | ZOXSSCQNRPYAEM-WRQBIUKFSA-N |
| Mol Weight | 806.0 g/mol |
| Molecular Formula | C44H71NO12 |
| Exact Mass | 805.497627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kWXikOr4zJ |
|---|---|
| Name | 22-DIHYDRO-FK-506 |
| Compound Number | 89 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H71NO12 |
| InChI | InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-40,46-48,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | ZOXSSCQNRPYAEM-WRQBIUKFSA-N |
| Literature Reference Author | T.K.JONES,R.A.REAMER,R.DESMOND,S.G.MILLS |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,2998(1990) |
| Literature Reference DOI | 10.1021/ja00164a023 |
| Molecular Weight | 806.047 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU6588 |