| SpectraBase Compound ID | 3SnGmjJLaxF |
|---|---|
| InChI | InChI=1S/C44H75NO12/c1-10-13-31-19-25(2)18-26(3)20-37(55-8)40(50)38(56-9)22-27(4)39(49)41(51)43(52)45-17-12-11-14-32(45)44(53)57-42(29(6)34(47)24-35(31)48)28(5)21-30-15-16-33(46)36(23-30)54-7/h10,19,21,26-27,29-42,46-51H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30-,31+,32?,33+,34-,35+,36+,37-,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | IJGZTKXDKVNVAY-JEISSJKXSA-N |
| Mol Weight | 810.1 g/mol |
| Molecular Formula | C44H75NO12 |
| Exact Mass | 809.528927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9c4K6UItfbb |
|---|---|
| Name | (9S,10R,22R)-HEXAHYDRO-FK-506 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H75NO12 |
| InChI | InChI=1S/C44H75NO12/c1-10-13-31-19-25(2)18-26(3)20-37(55-8)40(50)38(56-9)22-27(4)39(49)41(51)43(52)45-17-12-11-14-32(45)44(53)57-42(29(6)34(47)24-35(31)48)28(5)21-30-15-16-33(46)36(23-30)54-7/h10,19,21,26-27,29-42,46-51H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30-,31+,32?,33+,34-,35+,36+,37-,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | IJGZTKXDKVNVAY-JEISSJKXSA-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 | 810.079 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU6587 |