Systematic / IUPAC Name: (2R)-2-[(2R,3S,6R)-6-{[(2S,4R,5R,7R,9R,10R)-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-Hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methyltetrahydro-2H-pyran-2-yl]propanoic acid
ID: Reference3406
Other Names:
Helix C;
Helixin C;
Polyetherin A;
Azalomycin m
Formula: C40H68O11
Class: Endogenous Metabolites Natural Products/Medicines
Nigericin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Plus Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 57 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 11/23/2015 9:32:08 AM |
InChI | InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1 |
InChI Key | DANUORFCFTYTSZ-SJSJOXFOSA-N |
Canonical SMILES | CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC |
CAS | |
Splash | |
Other Names |
Helix C; Helixin C; Polyetherin A; Azalomycin m |
KEGG | C11609 |
Wikipedia | Nigericin |
ChemSpider | 10196461 |
PubChem | 34230 |
ChEBI | CHEBI:7569 |