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

*Links on SpectraBase are not permalinks.

FK506;CIS

Compound with spectra: 1 NMR

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
Enantiomer InChIKey QJJXYPPXXYFBGM-SEDQTGEESA-N

View Spectrum of FK506;CIS

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
8-EPITACROLIMUS;MAJOR_ROTAMER;(3-S,4-R,5-S,8-S,9-E,12-S,14-S,15-R,1-S,18-R,19-R,26A-S)-5,19-DIHYDROXY-14,16-DIMETHOXY-15,19-EPOXY-5,
FK506;TRANS
ASCOMYCIN
31-O-DEMETHYL_FK506;MAJOR_ROTAMER
TRANS-FK-506
CIS-FK-506
22-DIHYDRO-FK-506
RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE
CGTADGCBEXYWNE-KBMLHRMUSA-N
HOMOTEMSIROLIMUSE_B
Title Journal or Book Year
Conformational Analysis of thecis- andtrans-Isomers of FK506 by NMR and Molecular Dynamics Helvetica Chimica Acta 1991

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.