S-PETASIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | HKgJ7UkYPKY |
|---|---|
| InChI | InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+/m0/s1 |
| InChIKey | OHANKWLYFDFHOJ-RFTFGCRPSA-N |
| Mol Weight | 334.47 g/mol |
| Molecular Formula | C19H26O3S |
| Exact Mass | 334.160266 g/mol |
| Enantiomer InChIKey | OHANKWLYFDFHOJ-ZETOLMMZSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Chloroform-d |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
EREMOPETASINSULPHOXIDE;MAJOR-ISOMER
PETASINONE-A
(3R,4R,6S,7R,10R)-4,10-Dimethyl-6-(1'-methylethenyl)-3(E)-{[2"-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide
8-Oxoeremophil-7(11),9-dien-3-yl (Z)-3-(Methylsulfanyl)prop-2-enoate
PETASINONE-D
(4R,10R)-4,10-Dimethyl-6-(1'-methylethylidene)-3(E)-{[2"-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide
PETASONE_A
(Z)-3-Methanesulfinyl-acrylic acid (1R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalen-2-yl ester
| Title | Journal or Book | Year |
|---|---|---|
| Eremophilane-type sesquiterpenes from fresh rhizomes of Petasites japonicus | Phytochemistry | 1998 |
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.