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31-O-DEMETHYL_FK506;MAJOR_ROTAMER
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

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