| SpectraBase Compound ID | 1F1rGcX9F8c |
|---|---|
| InChI | InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+/t25-,27-,28-,29+,30-,31+,32-,33+,35-,36+,37+,38-,39-,43-/m1/s1 |
| InChIKey | VHOPGJHKSPGXIZ-QLECHRFSSA-N |
| Mol Weight | 790.0 g/mol |
| Molecular Formula | C43H67NO12 |
| Exact Mass | 789.466327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jz2AQN1R1fA |
|---|---|
| Name | 31-O-DEMETHYL_FK506;MAJOR_ROTAMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H67NO12 |
| InChI | InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+/t25-,27-,28-,29+,30-,31+,32-,33+,35-,36+,37+,38-,39-,43-/m1/s1 |
| InChIKey | VHOPGJHKSPGXIZ-QLECHRFSSA-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 | 790.004 g/mol |
| Sample ID | 42633 |
| Solvent | CDCl3 |