| SpectraBase Spectrum ID |
Kqd0frjOpW2 |
| Name |
Plagionicin A |
| Alternate Name(s) |
(2S)-2-methyl-4-[(3R,13R)-3,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]-2-oxolanyl]tridecyl]-2H-furan-5-one
(2S)-2-methyl-4-[(3R,13R)-3,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
(2S)-2-methyl-4-[(3R,13R)-3,8,13-tris(oxidanyl)-13-[(2R,5R)-5-[(1R)-1-oxidanyltridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H64O7 |
| InChI |
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-20-31(38)33-24-25-34(42-33)32(39)21-16-15-18-29(36)17-13-14-19-30(37)23-22-28-26-27(2)41-35(28)40/h26-27,29-34,36-39H,3-25H2,1-2H3/t27-,29?,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey |
CXGJYQUHSPDSCC-NPYHMLDVSA-N |
| Molecular Weight |
596.890 g/mol |
| SMILES |
O[C@](CCCCC(CCCC[C@]([C@@]1(O[C@@]([C@](O)(CCCCCCCCCCCC)[H])(CC1)[H])[H])(O)[H])O)(CCC=1C(O[C@@](C)(C1)[H])=O)[H] |
| SPLASH |
splash10-004l-0032090000-55f6e014e90419df132f |
| Source of Spectrum |
G4-69-1293-1 |
| Wiley ID |
1694474 |
