| SpectraBase Compound ID | 8HVQMP5yT1v |
|---|---|
| InChI | InChI=1S/C44H71NO11/c1-10-13-32-19-26(2)18-27(3)20-38(53-8)42-39(54-9)22-29(5)44(51,56-42)25-40(49)45-17-12-11-14-33(45)43(50)55-41(30(6)35(47)24-36(32)48)28(4)21-31-15-16-34(46)37(23-31)52-7/h10,19,21,27,29-35,37-39,41-42,46-47,51H,1,11-18,20,22-25H2,2-9H3/b26-19+,28-21+/t27-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,41+,42+,44-/m0/s1 |
| InChIKey | FRSCEVMAMNXXSW-ZGPRRSJXSA-N |
| Mol Weight | 790.0 g/mol |
| Molecular Formula | C44H71NO11 |
| Exact Mass | 789.502712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwAxZbkQj27 |
|---|---|
| Name | 9-DEOXO_FK506;MAJOR_ROTAMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H71NO11 |
| InChI | InChI=1S/C44H71NO11/c1-10-13-32-19-26(2)18-27(3)20-38(53-8)42-39(54-9)22-29(5)44(51,56-42)25-40(49)45-17-12-11-14-33(45)43(50)55-41(30(6)35(47)24-36(32)48)28(4)21-31-15-16-34(46)37(23-31)52-7/h10,19,21,27,29-35,37-39,41-42,46-47,51H,1,11-18,20,22-25H2,2-9H3/b26-19+,28-21+/t27-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,41+,42+,44-/m0/s1 |
| InChIKey | FRSCEVMAMNXXSW-ZGPRRSJXSA-N |
| Literature Reference Author | Y.H.BAN,P.B.SHINDE,J.Y.HWANG,M.C.SONG,D.H.KIM,S.K.LIM,J.K.SO HNG,Y.J.YOON |
| Literature Reference Citation | J.NAT.PROD.,76,1091(2013) |
| Literature Reference DOI | 10.1021/np4001224 |
| Molecular Weight | 790.048 g/mol |
| Sample ID | 42636 |
| Solvent | CDCl3 |