For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
FK506;CIS
SpectraBase Compound ID 1TYrm6n93i6
InChI InChI=1S/C44H69NO12/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/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32?,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChIKey QJJXYPPXXYFBGM-RGMZVGHXSA-N
Mol Weight 804.0 g/mol
Molecular Formula C44H69NO12
Exact Mass 803.481977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1Rt5S0hWgl9
Name FK506;CIS
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H69NO12
InChI InChI=1S/C44H69NO12/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/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32?,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChIKey QJJXYPPXXYFBGM-RGMZVGHXSA-N
Literature Reference Author D.F.MIERKE,P.SCHMIEDER,P.KARUSO,H.KESSLER
Literature Reference Citation HELV.CHIM.ACTA,74,1027(1991)
Literature Reference DOI 10.1002/hlca.19910740513
Molecular Weight 804.031 g/mol
Solvent CDCl3
Source File Reference UWVP5026