31-O-DEMETHYL_FK506;MAJOR_ROTAMER
Compound with spectra: 2 NMR
| 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 |
| Enantiomer InChIKey | VHOPGJHKSPGXIZ-KQJQTMLYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- 31-O-DEMETHYL_FK506;MINOR_ROTAMER
FK506;TRANS
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;CIS
CIS-FK-506
22-DIHYDRO-FK-506
RAPAMYCIN-42-[2-(4,5-DIMETHYLTHIAZOLIUM-3-YL)-ACETIC-ACID]-BROMIDE
CGTADGCBEXYWNE-KBMLHRMUSA-N
HOMOTEMSIROLIMUSE_B
HOMOTEMSIROLIMUSE_A
UJZWJYWLTDXOBF-PGDOHDMCSA-N
| Title | Journal or Book | Year |
|---|---|---|
| Characterization of FK506 Biosynthetic Intermediates Involved in Post-PKS Elaboration | Journal of Natural Products | 2013 |
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.